4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide

C11H19ClN2O2 — CID 82109147

IUPAC4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
SMILESO=C(CCCCl)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c12-6-4-5-10(15)13-9-11(16)14-7-2-1-3-8-14/h1-9H2,(H,13,15)
InChIKeyPKJIPVLJKVKDEL-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.13
Rot. Bonds5

About 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide

4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide (PubChem CID 82109147) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
PubChem CID82109147
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
SMILESO=C(CCCCl)NCC(=O)N1CCCCC1
InChIInChI=1S/C11H19ClN2O2/c12-6-4-5-10(15)13-9-11(16)14-7-2-1-3-8-14/h1-9H2,(H,13,15)
InChIKeyPKJIPVLJKVKDEL-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide 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

N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328
6-amino-N-(2-oxo-2-piperidin-1-ylethyl)hexanamide
CID 112687717
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556
5-(4-bromophenyl)-5-oxo-N-(2-oxo-2-piperidin-1-ylethyl)pentanamide
CID 110633482
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
4-chloro-1-(4-propanoyl-1,4-diazepan-1-yl)butan-1-one
CID 63308674
2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112701652
4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The IUPAC name of 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide (CID 82109147) is 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide is O=C(CCCCl)NCC(=O)N1CCCCC1.
What is the InChIKey of 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
The InChIKey is PKJIPVLJKVKDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c12-6-4-5-10(15)13-9-11(16)14-7-2-1-3-8-14/h1-9H2,(H,13,15).
What are the key properties of 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide?
4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide has a molecular weight of 246.74 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide is sourced from PubChem (CID 82109147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).