5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

C33H38N4O5 — CID 66710233

IUPAC5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H38N4O5/c1-41-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)30-12-7-26(21-34-30)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(42-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyDTAVECBCQBGUGF-UHFFFAOYSA-N
MW570.69 g/mol
LogP4.23
Rot. Bonds9

About 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide

5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 66710233) has the molecular formula C33H38N4O5 and a molecular weight of 570.69 g/mol. Its IUPAC name is 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID66710233
Molecular FormulaC33H38N4O5
Molecular Weight570.69 g/mol
Exact Mass570.28
IUPAC Name5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C33H38N4O5/c1-41-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)30-12-7-26(21-34-30)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(42-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyDTAVECBCQBGUGF-UHFFFAOYSA-N
XLogP4.23
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.69
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide (CID 66710233) is 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is DTAVECBCQBGUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O5/c1-41-28-8-3-23(4-9-28)22-36-17-15-27(16-18-36)35-32(39)30-12-7-26(21-34-30)33(40)37-19-13-25(14-20-37)31(38)24-5-10-29(42-2)11-6-24/h3-12,21,25,27H,13-20,22H2,1-2H3,(H,35,39).
What are the key properties of 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide?
5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 570.69 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 66710233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).