N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide

C28H29ClN2O4 — CID 39512397

IUPACN-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C28H29ClN2O4/c1-19-7-3-5-9-23(19)27(32)30-22-13-15-31(16-14-22)28(33)20-11-12-25(26(17-20)34-2)35-18-21-8-4-6-10-24(21)29/h3-12,17,22H,13-16,18H2,1-2H3,(H,30,32)
InChIKeyFVPITTMNHPICPQ-UHFFFAOYSA-N
MW493.00 g/mol
LogP5.27
Rot. Bonds7

About N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 39512397) has the molecular formula C28H29ClN2O4 and a molecular weight of 493.00 g/mol. Its IUPAC name is N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID39512397
Molecular FormulaC28H29ClN2O4
Molecular Weight493.00 g/mol
Exact Mass492.18
IUPAC NameN-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C28H29ClN2O4/c1-19-7-3-5-9-23(19)27(32)30-22-13-15-31(16-14-22)28(33)20-11-12-25(26(17-20)34-2)35-18-21-8-4-6-10-24(21)29/h3-12,17,22H,13-16,18H2,1-2H3,(H,30,32)
InChIKeyFVPITTMNHPICPQ-UHFFFAOYSA-N
XLogP5.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 55502037
2-chloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108550857
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
N-[1-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 39511123
2-chloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935229
4-[(2-chlorophenyl)methoxy]-N-[3-(cyclohexylamino)-3-oxopropyl]-3-methoxybenzamide
CID 55952071
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55694085
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide (CID 39512397) is N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide is COc1cc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is FVPITTMNHPICPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O4/c1-19-7-3-5-9-23(19)27(32)30-22-13-15-31(16-14-22)28(33)20-11-12-25(26(17-20)34-2)35-18-21-8-4-6-10-24(21)29/h3-12,17,22H,13-16,18H2,1-2H3,(H,30,32).
What are the key properties of N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 493.00 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 39512397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).