6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide

C34H40N4O5 — CID 66710662

IUPAC6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(N(C)C(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C34H40N4O5/c1-36(28-16-18-37(19-17-28)23-24-4-9-29(42-2)10-5-24)33(40)27-8-13-31(35-22-27)34(41)38-20-14-26(15-21-38)32(39)25-6-11-30(43-3)12-7-25/h4-13,22,26,28H,14-21,23H2,1-3H3
InChIKeyHHOJNLQASSTSAG-UHFFFAOYSA-N
MW584.72 g/mol
LogP4.57
Rot. Bonds9

About 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide

6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide (PubChem CID 66710662) has the molecular formula C34H40N4O5 and a molecular weight of 584.72 g/mol. Its IUPAC name is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide
PubChem CID66710662
Molecular FormulaC34H40N4O5
Molecular Weight584.72 g/mol
Exact Mass584.30
IUPAC Name6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(N(C)C(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C34H40N4O5/c1-36(28-16-18-37(19-17-28)23-24-4-9-29(42-2)10-5-24)33(40)27-8-13-31(35-22-27)34(41)38-20-14-26(15-21-38)32(39)25-6-11-30(43-3)12-7-25/h4-13,22,26,28H,14-21,23H2,1-3H3
InChIKeyHHOJNLQASSTSAG-UHFFFAOYSA-N
XLogP4.57
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.72
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide (CID 66710662) is 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide is COc1ccc(CN2CCC(N(C)C(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is HHOJNLQASSTSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O5/c1-36(28-16-18-37(19-17-28)23-24-4-9-29(42-2)10-5-24)33(40)27-8-13-31(35-22-27)34(41)38-20-14-26(15-21-38)32(39)25-6-11-30(43-3)12-7-25/h4-13,22,26,28H,14-21,23H2,1-3H3.
What are the key properties of 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide?
6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66710662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).