N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide

C26H26N4O4 — CID 55747739

IUPACN-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H26N4O4/c1-34-23-12-5-9-20(17-23)25(32)29-13-15-30(16-14-29)26(33)28-22-11-6-10-21(18-22)27-24(31)19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3,(H,27,31)(H,28,33)
InChIKeyPTUBJNQKXCDUMD-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.94
Rot. Bonds5

About N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide

N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide (PubChem CID 55747739) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
PubChem CID55747739
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H26N4O4/c1-34-23-12-5-9-20(17-23)25(32)29-13-15-30(16-14-29)26(33)28-22-11-6-10-21(18-22)27-24(31)19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3,(H,27,31)(H,28,33)
InChIKeyPTUBJNQKXCDUMD-UHFFFAOYSA-N
XLogP3.94
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
3-methoxy-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 18153307
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836464
methyl 1-(3-benzamidobenzoyl)piperidine-4-carboxylate
CID 3585170
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide (CID 55747739) is N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide is COc1cccc(C(=O)N2CCN(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)CC2)c1.
What is the InChIKey of N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is PTUBJNQKXCDUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-34-23-12-5-9-20(17-23)25(32)29-13-15-30(16-14-29)26(33)28-22-11-6-10-21(18-22)27-24(31)19-7-3-2-4-8-19/h2-12,17-18H,13-16H2,1H3,(H,27,31)(H,28,33).
What are the key properties of N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide?
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55747739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).