4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide

C15H22ClN3O — CID 83236466

IUPAC4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C15H22ClN3O/c1-11-4-5-12(16)10-14(11)17-13-6-8-19(9-7-13)15(20)18(2)3/h4-5,10,13,17H,6-9H2,1-3H3
InChIKeyPYTYPDJZJDZGQX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.21
Rot. Bonds2

About 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide

4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83236466) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83236466
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C15H22ClN3O/c1-11-4-5-12(16)10-14(11)17-13-6-8-19(9-7-13)15(20)18(2)3/h4-5,10,13,17H,6-9H2,1-3H3
InChIKeyPYTYPDJZJDZGQX-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236467
4-(3,5-dichloroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83242183
4-(2,3-dimethylanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83236371
4-(2-chloro-4-iodoanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262468
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
4-(5-chloro-2-methylanilino)cyclohexan-1-one
CID 117027853
N,N-dimethyl-4-[(2-methyl-3-pyridinyl)amino]piperidine-1-carboxamide
CID 83261618
N-(5-chloro-2-methylphenyl)thian-4-amine
CID 43511220
4-(3,5-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83202832
4-(5-bromo-2-methylanilino)piperidine-1-carboxamide
CID 43787891
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide (CID 83236466) is 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide is Cc1ccc(Cl)cc1NC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PYTYPDJZJDZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-11-4-5-12(16)10-14(11)17-13-6-8-19(9-7-13)15(20)18(2)3/h4-5,10,13,17H,6-9H2,1-3H3.
What are the key properties of 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide?
4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylanilino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83236466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).