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

C34H39N5O5 — CID 66710516

IUPACN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(NC(C)=O)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H39N5O5/c1-23(40)36-28-8-3-24(4-9-28)22-38-17-15-29(16-18-38)37-33(42)27-7-12-31(35-21-27)34(43)39-19-13-26(14-20-39)32(41)25-5-10-30(44-2)11-6-25/h3-12,21,26,29H,13-20,22H2,1-2H3,(H,36,40)(H,37,42)
InChIKeyHVGXPVKSQJFBCU-UHFFFAOYSA-N
MW597.72 g/mol
LogP4.18
Rot. Bonds9

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

N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (PubChem CID 66710516) has the molecular formula C34H39N5O5 and a molecular weight of 597.72 g/mol. Its IUPAC name is N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
PubChem CID66710516
Molecular FormulaC34H39N5O5
Molecular Weight597.72 g/mol
Exact Mass597.30
IUPAC NameN-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(NC(C)=O)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C34H39N5O5/c1-23(40)36-28-8-3-24(4-9-28)22-38-17-15-29(16-18-38)37-33(42)27-7-12-31(35-21-27)34(43)39-19-13-26(14-20-39)32(41)25-5-10-30(44-2)11-6-25/h3-12,21,26,29H,13-20,22H2,1-2H3,(H,36,40)(H,37,42)
InChIKeyHVGXPVKSQJFBCU-UHFFFAOYSA-N
XLogP4.18
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.72
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide (CID 66710516) is N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCN(Cc5ccc(NC(C)=O)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
The InChIKey is HVGXPVKSQJFBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5/c1-23(40)36-28-8-3-24(4-9-28)22-38-17-15-29(16-18-38)37-33(42)27-7-12-31(35-21-27)34(43)39-19-13-26(14-20-39)32(41)25-5-10-30(44-2)11-6-25/h3-12,21,26,29H,13-20,22H2,1-2H3,(H,36,40)(H,37,42).
What are the key properties of N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide?
N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide has a molecular weight of 597.72 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]pyridine-3-carboxamide is sourced from PubChem (CID 66710516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).