1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C23H27ClN2O4 — CID 112790483

IUPAC1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C23H27ClN2O4/c1-25(14-17-8-11-20(29-2)13-21(17)30-3)22(27)18-5-4-12-26(15-18)23(28)16-6-9-19(24)10-7-16/h6-11,13,18H,4-5,12,14-15H2,1-3H3
InChIKeyBKMSQACZZGTVIQ-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.87
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 112790483) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID112790483
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C23H27ClN2O4/c1-25(14-17-8-11-20(29-2)13-21(17)30-3)22(27)18-5-4-12-26(15-18)23(28)16-6-9-19(24)10-7-16/h6-11,13,18H,4-5,12,14-15H2,1-3H3
InChIKeyBKMSQACZZGTVIQ-UHFFFAOYSA-N
XLogP3.87
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
3-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55413626
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55625221
tert-butyl (3R)-3-[(2,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167074
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
[(3S,4S)-1-(4-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93154886
(3S)-1-(3-ethoxy-4-methoxybenzoyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 52524664

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 112790483) is 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is BKMSQACZZGTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-25(14-17-8-11-20(29-2)13-21(17)30-3)22(27)18-5-4-12-26(15-18)23(28)16-6-9-19(24)10-7-16/h6-11,13,18H,4-5,12,14-15H2,1-3H3.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 430.93 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 112790483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).