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

C21H21Cl3N2O2 — CID 24679712

IUPAC1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21Cl3N2O2/c1-25(12-15-6-9-18(23)11-19(15)24)20(27)16-3-2-10-26(13-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyDANREGDRGZZWFD-UHFFFAOYSA-N
MW439.77 g/mol
LogP5.16
Rot. Bonds4

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

1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 24679712) has the molecular formula C21H21Cl3N2O2 and a molecular weight of 439.77 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID24679712
Molecular FormulaC21H21Cl3N2O2
Molecular Weight439.77 g/mol
Exact Mass438.07
IUPAC Name1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C21H21Cl3N2O2/c1-25(12-15-6-9-18(23)11-19(15)24)20(27)16-3-2-10-26(13-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3
InChIKeyDANREGDRGZZWFD-UHFFFAOYSA-N
XLogP5.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 112790483
tert-butyl (3R)-3-[(2,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167074
(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
2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 119198394
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 56510249
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
1-(4-chlorobenzoyl)-N,N-bis(2-cyanoethyl)piperidine-3-carboxamide
CID 51185593
3-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207299
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 24679712) is 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is DANREGDRGZZWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N2O2/c1-25(12-15-6-9-18(23)11-19(15)24)20(27)16-3-2-10-26(13-16)21(28)14-4-7-17(22)8-5-14/h4-9,11,16H,2-3,10,12-13H2,1H3.
What are the key properties of 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 439.77 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 24679712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).