4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C69H85N9O10S — CID 87714303

About 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 87714303) has the molecular formula C69H85N9O10S and a molecular weight of 1232.56 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

• Compound Name: 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
• PubChem CID: 87714303
• Molecular Formula: C69H85N9O10S
• Molecular Weight: 1232.56 g/mol
• Exact Mass: 1231.61
• IUPAC Name: 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
• SMILES: CCC(CC)NC(=O)Nc1ccc(OC)c(Oc2ccc(NC(=O)c3cccc(OC4CCN(C(C)C)CC4)c3)cc2)c1.CCC(CC)NC(=O)Nc1ccc(Oc2cnc(NC(=O)c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)s2)c(OC)c1
• InChI: InChI=1S/C35H41N5O5S.C34H44N4O5/c1-4-26(5-2)37-34(42)38-27-13-16-30(31(21-27)43-3)45-32-22-36-35(46-32)39-33(41)25-11-14-28(15-12-25)44-29-17-19-40(20-18-29)23-24-9-7-6-8-10-24;1-6-25(7-2)36-34(40)37-27-13-16-31(41-5)32(22-27)43-28-14-11-26(12-15-28)35-33(39)24-9-8-10-30(21-24)42-29-17-19-38(20-18-29)23(3)4/h6-16,21-22,26,29H,4-5,17-20,23H2,1-3H3,(H,36,39,41)(H2,37,38,42);8-16,21-23,25,29H,6-7,17-20H2,1-5H3,(H,35,39)(H2,36,37,40)
• InChIKey: JVUOVOJEQQVDNN-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 215.21 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1232.56
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?

The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 87714303) is 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?

The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CCC(CC)NC(=O)Nc1ccc(OC)c(Oc2ccc(NC(=O)c3cccc(OC4CCN(C(C)C)CC4)c3)cc2)c1.CCC(CC)NC(=O)Nc1ccc(Oc2cnc(NC(=O)c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)s2)c(OC)c1.

What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?

The InChIKey is JVUOVOJEQQVDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O5S.C34H44N4O5/c1-4-26(5-2)37-34(42)38-27-13-16-30(31(21-27)43-3)45-32-22-36-35(46-32)39-33(41)25-11-14-28(15-12-25)44-29-17-19-40(20-18-29)23-24-9-7-6-8-10-24;1-6-25(7-2)36-34(40)37-27-13-16-31(41-5)32(22-27)43-28-14-11-26(12-15-28)35-33(39)24-9-8-10-30(21-24)42-29-17-19-38(20-18-29)23(3)4/h6-16,21-22,26,29H,4-5,17-20,23H2,1-3H3,(H,36,39,41)(H2,37,38,42);8-16,21-23,25,29H,6-7,17-20H2,1-5H3,(H,35,39)(H2,36,37,40).

What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?

4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 1232.56 g/mol, XLogP of 14.85, 25 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzylpiperidin-4-yl)oxy-N-[5-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]-1,3-thiazol-2-yl]benzamide;N-[4-[2-methoxy-5-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 87714303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).