4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

C31H42N4O3 — CID 42693679

IUPAC4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1
InChIInChI=1S/C31H42N4O3/c1-38-29-9-7-27(8-10-29)32-31(37)35-21-15-28(16-22-35)33-19-13-26(14-20-33)30(36)34-17-11-25(12-18-34)23-24-5-3-2-4-6-24/h2-10,25-26,28H,11-23H2,1H3,(H,32,37)
InChIKeyOIUMQHAQGRUFAJ-UHFFFAOYSA-N
MW518.70 g/mol
LogP4.88
Rot. Bonds6

About 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 42693679) has the molecular formula C31H42N4O3 and a molecular weight of 518.70 g/mol. Its IUPAC name is 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID42693679
Molecular FormulaC31H42N4O3
Molecular Weight518.70 g/mol
Exact Mass518.33
IUPAC Name4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1
InChIInChI=1S/C31H42N4O3/c1-38-29-9-7-27(8-10-29)32-31(37)35-21-15-28(16-22-35)33-19-13-26(14-20-33)30(36)34-17-11-25(12-18-34)23-24-5-3-2-4-6-24/h2-10,25-26,28H,11-23H2,1H3,(H,32,37)
InChIKeyOIUMQHAQGRUFAJ-UHFFFAOYSA-N
XLogP4.88
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.70
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
1-(1-acetylpiperidin-4-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 42693365
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
(4-benzylpiperidin-1-yl)-[1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42693568
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 42693679) is 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(N3CCC(C(=O)N4CCC(Cc5ccccc5)CC4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is OIUMQHAQGRUFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O3/c1-38-29-9-7-27(8-10-29)32-31(37)35-21-15-28(16-22-35)33-19-13-26(14-20-33)30(36)34-17-11-25(12-18-34)23-24-5-3-2-4-6-24/h2-10,25-26,28H,11-23H2,1H3,(H,32,37).
What are the key properties of 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 518.70 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-benzylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 42693679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).