N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

C21H23ClN2O4 — CID 1072800

IUPACN-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-18-10-15(11-19(13-18)28-2)21(26)24-8-6-14(7-9-24)20(25)23-17-5-3-4-16(22)12-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,25)
InChIKeyGBQLYPZYEMAQBU-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.85
Rot. Bonds5

About N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (PubChem CID 1072800) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
PubChem CID1072800
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC NameN-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-18-10-15(11-19(13-18)28-2)21(26)24-8-6-14(7-9-24)20(25)23-17-5-3-4-16(22)12-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,25)
InChIKeyGBQLYPZYEMAQBU-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-(3,5-dimethoxybenzoyl)-N-(3-fluoro-4-methoxyphenyl)piperidine-4-carboxamide
CID 55797447
1-(3,5-dimethoxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-4-carboxamide
CID 55718979
5-[4-[(3-chlorophenyl)carbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330648
1-(3,5-dimethoxybenzoyl)-N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 46471892
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
1-(3,5-dimethoxybenzoyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]piperidine-4-carboxamide
CID 55718668
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-(2-aminophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 119422420
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide (CID 1072800) is N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is GBQLYPZYEMAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-18-10-15(11-19(13-18)28-2)21(26)24-8-6-14(7-9-24)20(25)23-17-5-3-4-16(22)12-17/h3-5,10-14H,6-9H2,1-2H3,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1072800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).