acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene

C71H94F3N3O5 — CID 145118786

IUPACacetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
SMILESC#C.CC.CC.COc1ccc2cc(C(=O)C3CC(C)CN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C(=O)[C@H]3CCCN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C)ccc2c1.FC(F)(F)C1CCN(CC2CC2)CC1
InChIInChI=1S/C22H27NO2.C21H25NO2.C12H12O.C10H16F3N.2C2H6.C2H2/c1-15-9-20(14-23(12-15)13-16-3-4-16)22(24)19-6-5-18-11-21(25-2)8-7-17(18)10-19;1-24-20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;11-10(12,13)9-3-5-14(6-4-9)7-8-1-2-8;3*1-2/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3;6-9,11-12,15,19H,2-5,10,13-14H2,1H3;3-8H,1-2H3;8-9H,1-7H2;2*1-2H3;1-2H/t;19-;;;;;/m.0...../s1
InChIKeyVONIFUGWIVYHBX-DNUANMKASA-N
MW1126.54 g/mol
LogP16.68
Rot. Bonds13

About acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene

acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene (PubChem CID 145118786) has the molecular formula C71H94F3N3O5 and a molecular weight of 1126.54 g/mol. Its IUPAC name is acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene.

Molecular Properties

Compound Nameacetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
PubChem CID145118786
Molecular FormulaC71H94F3N3O5
Molecular Weight1126.54 g/mol
Exact Mass1125.71
IUPAC Nameacetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
SMILESC#C.CC.CC.COc1ccc2cc(C(=O)C3CC(C)CN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C(=O)[C@H]3CCCN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C)ccc2c1.FC(F)(F)C1CCN(CC2CC2)CC1
InChIInChI=1S/C22H27NO2.C21H25NO2.C12H12O.C10H16F3N.2C2H6.C2H2/c1-15-9-20(14-23(12-15)13-16-3-4-16)22(24)19-6-5-18-11-21(25-2)8-7-17(18)10-19;1-24-20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;11-10(12,13)9-3-5-14(6-4-9)7-8-1-2-8;3*1-2/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3;6-9,11-12,15,19H,2-5,10,13-14H2,1H3;3-8H,1-2H3;8-9H,1-7H2;2*1-2H3;1-2H/t;19-;;;;;/m.0...../s1
InChIKeyVONIFUGWIVYHBX-DNUANMKASA-N
XLogP16.68
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.54
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene with MolForge

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Related Compounds

[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 26318364

Frequently Asked Questions

What is the IUPAC name of acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene?
The IUPAC name of acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene (CID 145118786) is acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene.
What is the SMILES notation for acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene?
The canonical SMILES for acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene is C#C.CC.CC.COc1ccc2cc(C(=O)C3CC(C)CN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C(=O)[C@H]3CCCN(CC4CC4)C3)ccc2c1.COc1ccc2cc(C)ccc2c1.FC(F)(F)C1CCN(CC2CC2)CC1.
What is the InChIKey of acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene?
The InChIKey is VONIFUGWIVYHBX-DNUANMKASA-N. The full InChI is InChI=1S/C22H27NO2.C21H25NO2.C12H12O.C10H16F3N.2C2H6.C2H2/c1-15-9-20(14-23(12-15)13-16-3-4-16)22(24)19-6-5-18-11-21(25-2)8-7-17(18)10-19;1-24-20-9-8-16-11-18(7-6-17(16)12-20)21(23)19-3-2-10-22(14-19)13-15-4-5-15;1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;11-10(12,13)9-3-5-14(6-4-9)7-8-1-2-8;3*1-2/h5-8,10-11,15-16,20H,3-4,9,12-14H2,1-2H3;6-9,11-12,15,19H,2-5,10,13-14H2,1H3;3-8H,1-2H3;8-9H,1-7H2;2*1-2H3;1-2H/t;19-;;;;;/m.0...../s1.
What are the key properties of acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene?
acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene has a molecular weight of 1126.54 g/mol, XLogP of 16.68, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene is sourced from PubChem (CID 145118786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).