1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide

C14H19ClN4O2 — CID 43082326

IUPAC1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)Nc2ccc(N)cc2Cl)C1
InChIInChI=1S/C14H19ClN4O2/c15-11-6-10(16)3-4-12(11)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,21)(H,18,20)
InChIKeyVYTPJLJPDCENGU-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.06
Rot. Bonds4

About 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43082326) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43082326
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)Nc2ccc(N)cc2Cl)C1
InChIInChI=1S/C14H19ClN4O2/c15-11-6-10(16)3-4-12(11)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,21)(H,18,20)
InChIKeyVYTPJLJPDCENGU-UHFFFAOYSA-N
XLogP1.06
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375570
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-(4-amino-2-chlorophenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16791482
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)acetamide;N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylacetamide
CID 162243839
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 61421322
N-(4-amino-2-chlorophenyl)-2-(2-methylpyrrolidin-1-yl)acetamide
CID 54882152
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 43082326) is 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CC(=O)Nc2ccc(N)cc2Cl)C1.
What is the InChIKey of 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is VYTPJLJPDCENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-6-10(16)3-4-12(11)18-13(20)8-19-5-1-2-9(7-19)14(17)21/h3-4,6,9H,1-2,5,7-8,16H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43082326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).