(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone

C145H180N8O13 — CID 158145660

About (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone

(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone (PubChem CID 158145660) has the molecular formula C145H180N8O13 and a molecular weight of 2243.08 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

• Compound Name: (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone
• PubChem CID: 158145660
• Molecular Formula: C145H180N8O13
• Molecular Weight: 2243.08 g/mol
• Exact Mass: 2241.37
• IUPAC Name: (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone
• SMILES: CCCN1CCCC(C(=O)c2ccc(OC)cc2)C1.COc1ccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@@H]3C)ccc2c1.COc1ccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1.COc1ccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1.COc1cccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@@H]3C)ccc12.COc1cccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc12.O=C(c1ccc2cnccc2c1)C1CCCN(C2CCC2)C1
• InChI: InChI=1S/5C22H27NO2.C19H22N2O.C16H23NO2/c3*1-15-9-10-23(13-16-3-4-16)14-21(15)22(24)19-6-5-18-12-20(25-2)8-7-17(18)11-19;2*1-15-10-11-23(13-16-6-7-16)14-20(15)22(24)18-8-9-19-17(12-18)4-3-5-21(19)25-2;22-19(15-6-7-16-12-20-9-8-14(16)11-15)17-3-2-10-21(13-17)18-4-1-5-18;1-3-10-17-11-4-5-14(12-17)16(18)13-6-8-15(19-2)9-7-13/h3*5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3;2*3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3;6-9,11-12,17-18H,1-5,10,13H2;6-9,14H,3-5,10-12H2,1-2H3/t2*15-,21+;15-,21-;2*15-,20+;;/m10110../s1
• InChIKey: FUMFPGOZLMAWCO-ZQXLXKOLSA-N
• XLogP: 28.68
• TPSA: 210.44 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.08
LogP ≤ 5	28.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone?

The IUPAC name of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone (CID 158145660) is (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone.

What is the SMILES notation for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone?

The canonical SMILES for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2ccc(OC)cc2)C1.COc1ccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@@H]3C)ccc2c1.COc1ccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1.COc1ccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1.COc1cccc2cc(C(=O)[C@@H]3CN(CC4CC4)CC[C@@H]3C)ccc12.COc1cccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc12.O=C(c1ccc2cnccc2c1)C1CCCN(C2CCC2)C1.

What is the InChIKey of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone?

The InChIKey is FUMFPGOZLMAWCO-ZQXLXKOLSA-N. The full InChI is InChI=1S/5C22H27NO2.C19H22N2O.C16H23NO2/c3*1-15-9-10-23(13-16-3-4-16)14-21(15)22(24)19-6-5-18-12-20(25-2)8-7-17(18)11-19;2*1-15-10-11-23(13-16-6-7-16)14-20(15)22(24)18-8-9-19-17(12-18)4-3-5-21(19)25-2;22-19(15-6-7-16-12-20-9-8-14(16)11-15)17-3-2-10-21(13-17)18-4-1-5-18;1-3-10-17-11-4-5-14(12-17)16(18)13-6-8-15(19-2)9-7-13/h3*5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3;2*3-5,8-9,12,15-16,20H,6-7,10-11,13-14H2,1-2H3;6-9,11-12,17-18H,1-5,10,13H2;6-9,14H,3-5,10-12H2,1-2H3/t2*15-,21+;15-,21-;2*15-,20+;;/m10110../s1.

What are the key properties of (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone?

(1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone has a molecular weight of 2243.08 g/mol, XLogP of 28.68, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclobutylpiperidin-3-yl)-isoquinolin-6-ylmethanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone;[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S,4S)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;(4-methoxyphenyl)-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 158145660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).