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

C33H38N4O4 — CID 146676190

IUPACN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H38N4O4/c1-23-3-7-25(8-4-23)31(38)26-13-19-37(20-14-26)33(40)30-12-9-27(21-34-30)32(39)35-28-15-17-36(18-16-28)22-24-5-10-29(41-2)11-6-24/h3-12,21,26,28H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyNDAAPEZTNBMFSX-UHFFFAOYSA-N
MW554.69 g/mol
LogP4.53
Rot. Bonds8

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

N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 146676190) has the molecular formula C33H38N4O4 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID146676190
Molecular FormulaC33H38N4O4
Molecular Weight554.69 g/mol
Exact Mass554.29
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C)cc5)CC4)nc3)CC2)cc1
InChIInChI=1S/C33H38N4O4/c1-23-3-7-25(8-4-23)31(38)26-13-19-37(20-14-26)33(40)30-12-9-27(21-34-30)32(39)35-28-15-17-36(18-16-28)22-24-5-10-29(41-2)11-6-24/h3-12,21,26,28H,13-20,22H2,1-2H3,(H,35,39)
InChIKeyNDAAPEZTNBMFSX-UHFFFAOYSA-N
XLogP4.53
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.69
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 146676190) is N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(C)cc5)CC4)nc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is NDAAPEZTNBMFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O4/c1-23-3-7-25(8-4-23)31(38)26-13-19-37(20-14-26)33(40)30-12-9-27(21-34-30)32(39)35-28-15-17-36(18-16-28)22-24-5-10-29(41-2)11-6-24/h3-12,21,26,28H,13-20,22H2,1-2H3,(H,35,39).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 554.69 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 146676190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).