1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide

C15H20ClN3O2 — CID 78821494

IUPAC1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(NCC(=O)N2CCCC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-4-5-13(12(16)7-10)18-8-14(20)19-6-2-3-11(9-19)15(17)21/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H2,17,21)
InChIKeyBGKVSMXBRFKEPY-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide

1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide (PubChem CID 78821494) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
PubChem CID78821494
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(NCC(=O)N2CCCC(C(N)=O)C2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c1-10-4-5-13(12(16)7-10)18-8-14(20)19-6-2-3-11(9-19)15(17)21/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H2,17,21)
InChIKeyBGKVSMXBRFKEPY-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
CID 112800020
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229141
1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
CID 71858061
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide (CID 78821494) is 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide is Cc1ccc(NCC(=O)N2CCCC(C(N)=O)C2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide?
The InChIKey is BGKVSMXBRFKEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10-4-5-13(12(16)7-10)18-8-14(20)19-6-2-3-11(9-19)15(17)21/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H2,17,21).
What are the key properties of 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide?
1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78821494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).