1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide

C28H29N3O5 — CID 55642413

IUPAC1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O5/c1-35-25-17-21(11-12-24(25)36-18-19-7-3-2-4-8-19)27(33)30-23-10-6-5-9-22(23)28(34)31-15-13-20(14-16-31)26(29)32/h2-12,17,20H,13-16,18H2,1H3,(H2,29,32)(H,30,33)
InChIKeyMASPZVLBOUEMCD-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.86
Rot. Bonds8

About 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide

1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 55642413) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID55642413
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1
InChIInChI=1S/C28H29N3O5/c1-35-25-17-21(11-12-24(25)36-18-19-7-3-2-4-8-19)27(33)30-23-10-6-5-9-22(23)28(34)31-15-13-20(14-16-31)26(29)32/h2-12,17,20H,13-16,18H2,1H3,(H2,29,32)(H,30,33)
InChIKeyMASPZVLBOUEMCD-UHFFFAOYSA-N
XLogP3.86
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3,4-dimethylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55645237
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[2-[(2-iodo-3-methylbenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544520
N-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935228
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
1-[2-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]piperidine-4-carboxamide
CID 55933864
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
CID 31302458

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide (CID 55642413) is 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide is COc1cc(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is MASPZVLBOUEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-35-25-17-21(11-12-24(25)36-18-19-7-3-2-4-8-19)27(33)30-23-10-6-5-9-22(23)28(34)31-15-13-20(14-16-31)26(29)32/h2-12,17,20H,13-16,18H2,1H3,(H2,29,32)(H,30,33).
What are the key properties of 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide?
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55642413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).