1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide

C14H19ClN4O2 — CID 43375570

IUPAC1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H19ClN4O2/c15-11-4-3-10(16)6-12(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)
InChIKeyVHJJBHQFSKZEOE-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.06
Rot. Bonds4

About 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43375570) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43375570
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1
InChIInChI=1S/C14H19ClN4O2/c15-11-4-3-10(16)6-12(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)
InChIKeyVHJJBHQFSKZEOE-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-(4-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43082326
N-(5-amino-2-chlorophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584042
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
2-(3-aminopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 61298143
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
1-[2-(4-amino-2-methylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026228
N-ethyl-1-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]piperidine-3-carboxamide
CID 48938107
(3R)-1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9304566
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
2-[(3R)-3-aminopiperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 102977528
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 43375570) is 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CC(=O)Nc2cc(N)ccc2Cl)C1.
What is the InChIKey of 1-[2-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is VHJJBHQFSKZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-11-4-3-10(16)6-12(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-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(5-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-(5-amino-2-chloroanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43375570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).