1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide

C21H24ClN3O2 — CID 78838219

IUPAC1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C)n1
InChIInChI=1S/C21H24ClN3O2/c1-13-11-14(2)23-15(3)19(13)24-20(26)17-5-4-10-25(12-17)21(27)16-6-8-18(22)9-7-16/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26)
InChIKeyNVTFEDJCIWRYCG-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.15
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 78838219) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID78838219
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C)n1
InChIInChI=1S/C21H24ClN3O2/c1-13-11-14(2)23-15(3)19(13)24-20(26)17-5-4-10-25(12-17)21(27)16-6-8-18(22)9-7-16/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26)
InChIKeyNVTFEDJCIWRYCG-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 51188759
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
(3R)-1-(4-chlorobenzoyl)-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)piperidine-3-carboxamide
CID 97352287
1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112805753
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
ethyl 2-[[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266782
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide (CID 78838219) is 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)c(C)n1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is NVTFEDJCIWRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-13-11-14(2)23-15(3)19(13)24-20(26)17-5-4-10-25(12-17)21(27)16-6-8-18(22)9-7-16/h6-9,11,17H,4-5,10,12H2,1-3H3,(H,24,26).
What are the key properties of 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 78838219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).