4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide

C27H28ClN3O4 — CID 55502037

IUPAC4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C27H28ClN3O4/c1-34-25-17-19(11-12-24(25)35-18-20-7-5-6-10-23(20)28)26(32)29-22-13-15-31(16-14-22)27(33)30-21-8-3-2-4-9-21/h2-12,17,22H,13-16,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyOTIJNHKDXGDRJI-UHFFFAOYSA-N
MW493.99 g/mol
LogP5.35
Rot. Bonds7

About 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 55502037) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID55502037
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC Name4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C27H28ClN3O4/c1-34-25-17-19(11-12-24(25)35-18-20-7-5-6-10-23(20)28)26(32)29-22-13-15-31(16-14-22)27(33)30-21-8-3-2-4-9-21/h2-12,17,22H,13-16,18H2,1H3,(H,29,32)(H,30,33)
InChIKeyOTIJNHKDXGDRJI-UHFFFAOYSA-N
XLogP5.35
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.99
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 55952071
4-[(3-methoxybenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 43814029
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324414
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 55502037) is 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide is COc1cc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is OTIJNHKDXGDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c1-34-25-17-19(11-12-24(25)35-18-20-7-5-6-10-23(20)28)26(32)29-22-13-15-31(16-14-22)27(33)30-21-8-3-2-4-9-21/h2-12,17,22H,13-16,18H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 55502037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).