1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide

C21H29ClN2O4 — CID 155371251

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NCC(=O)CC(C)(C)C)C1
InChIInChI=1S/C21H29ClN2O4/c1-21(2,3)11-16(25)12-23-19(26)14-6-5-9-24(13-14)20(27)17-10-15(22)7-8-18(17)28-4/h7-8,10,14H,5-6,9,11-13H2,1-4H3,(H,23,26)
InChIKeyDTKUFMHQPQWKRU-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.32
Rot. Bonds6

About 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide (PubChem CID 155371251) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide
PubChem CID155371251
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NCC(=O)CC(C)(C)C)C1
InChIInChI=1S/C21H29ClN2O4/c1-21(2,3)11-16(25)12-23-19(26)14-6-5-9-24(13-14)20(27)17-10-15(22)7-8-18(17)28-4/h7-8,10,14H,5-6,9,11-13H2,1-4H3,(H,23,26)
InChIKeyDTKUFMHQPQWKRU-UHFFFAOYSA-N
XLogP3.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 156560476
(3S)-1-(5-chloro-2-methoxybenzoyl)-N-(1-sulfanylethyl)piperidine-3-carboxamide
CID 145184497
1-(5-chloro-2-methoxybenzoyl)-N-[(E)-4-phenylsulfanylbut-3-enyl]piperidine-3-carboxamide
CID 153353803
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(3S)-1-(2-chlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94082313
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 35288880
(5-chloro-2-methoxyphenyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146976
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide (CID 155371251) is 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC(C(=O)NCC(=O)CC(C)(C)C)C1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide?
The InChIKey is DTKUFMHQPQWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O4/c1-21(2,3)11-16(25)12-23-19(26)14-6-5-9-24(13-14)20(27)17-10-15(22)7-8-18(17)28-4/h7-8,10,14H,5-6,9,11-13H2,1-4H3,(H,23,26).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-(4,4-dimethyl-2-oxopentyl)piperidine-3-carboxamide is sourced from PubChem (CID 155371251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).