1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide

C10H17ClN2O2 — CID 129497512

IUPAC1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Cl)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17ClN2O2/c1-2-8(11)10(15)13-5-3-7(4-6-13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyNSVKKQUHVAFMIC-QMMMGPOBSA-N
MW232.71 g/mol
LogP0.73
Rot. Bonds3

About 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide

1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide (PubChem CID 129497512) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
PubChem CID129497512
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
SMILESCC[C@H](Cl)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C10H17ClN2O2/c1-2-8(11)10(15)13-5-3-7(4-6-13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t8-/m0/s1
InChIKeyNSVKKQUHVAFMIC-QMMMGPOBSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 129497057
(2S)-2-chloro-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 129494463
2-chloro-1-[3-(difluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 121201142
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
1-(2-amino-3-hydroxybutanoyl)piperidine-4-carboxamide
CID 153399004
2-chloro-1-(4-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 121202919
1-(2-cyanopropanoyl)piperidine-4-carboxamide
CID 55207643
(2S)-2-chloro-1-[(3S,4S)-3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 129497278
(2S)-2-chloro-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 129495116
2-chloro-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 121201266
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
2-(4-carbamoylpiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536501

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide (CID 129497512) is 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide is CC[C@H](Cl)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide?
The InChIKey is NSVKKQUHVAFMIC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-2-8(11)10(15)13-5-3-7(4-6-13)9(12)14/h7-8H,2-6H2,1H3,(H2,12,14)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide?
1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide has a molecular weight of 232.71 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 129497512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).