1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

C16H20ClN3O4 — CID 17312286

IUPAC1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20ClN3O4/c1-9(21)19-13-8-14(24-2)11(7-12(13)17)16(23)20-5-3-10(4-6-20)15(18)22/h7-8,10H,3-6H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyIAKGRNMOJPOLPM-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.64
Rot. Bonds4

About 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide

1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 17312286) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID17312286
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H20ClN3O4/c1-9(21)19-13-8-14(24-2)11(7-12(13)17)16(23)20-5-3-10(4-6-20)15(18)22/h7-8,10H,3-6H2,1-2H3,(H2,18,22)(H,19,21)
InChIKeyIAKGRNMOJPOLPM-UHFFFAOYSA-N
XLogP1.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17257113
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
N-[2-chloro-4-(2-ethylpiperidine-1-carbonyl)-5-methoxyphenyl]acetamide
CID 17257101
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 110763028

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide (CID 17312286) is 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is IAKGRNMOJPOLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-9(21)19-13-8-14(24-2)11(7-12(13)17)16(23)20-5-3-10(4-6-20)15(18)22/h7-8,10H,3-6H2,1-2H3,(H2,18,22)(H,19,21).
What are the key properties of 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide?
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17312286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).