1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide

C16H21ClN2O3 — CID 110763028

IUPAC1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-9-8-12(22-3)13(10(2)14(9)17)16(21)19-6-4-11(5-7-19)15(18)20/h8,11H,4-7H2,1-3H3,(H2,18,20)
InChIKeyAJNDRNKVVQBTSA-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.30
Rot. Bonds3

About 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide

1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide (PubChem CID 110763028) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
PubChem CID110763028
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide
SMILESCOc1cc(C)c(Cl)c(C)c1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-9-8-12(22-3)13(10(2)14(9)17)16(21)19-6-4-11(5-7-19)15(18)20/h8,11H,4-7H2,1-3H3,(H2,18,20)
InChIKeyAJNDRNKVVQBTSA-UHFFFAOYSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
1-(4-chloro-3-methoxy-5-nitrobenzoyl)piperidine-4-carboxamide
CID 156695356
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide (CID 110763028) is 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide is COc1cc(C)c(Cl)c(C)c1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide?
The InChIKey is AJNDRNKVVQBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-9-8-12(22-3)13(10(2)14(9)17)16(21)19-6-4-11(5-7-19)15(18)20/h8,11H,4-7H2,1-3H3,(H2,18,20).
What are the key properties of 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide?
1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-6-methoxy-2,4-dimethylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 110763028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).