N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide

C11H19ClN2O2 — CID 103500767

IUPACN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyPGZPQVQQROZCCF-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.83
Rot. Bonds2

About N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide

N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 103500767) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID103500767
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NC(=O)CCl)CC1
InChIInChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16)
InChIKeyPGZPQVQQROZCCF-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-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

N-(2-chloroacetyl)-4-methylazepane-1-carboxamide
CID 63625647
N-(2-chloroacetyl)-3-methylpiperidine-1-carboxamide
CID 43146182
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
N-(2-chloroacetyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 115560990
2-hydroxy-4-[(4-propan-2-ylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841501
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
N-(1-ethylsulfonylpropan-2-yl)-4-propan-2-ylpiperidine-1-carboxamide
CID 71868246
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide (CID 103500767) is N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)NC(=O)CCl)CC1.
What is the InChIKey of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is PGZPQVQQROZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c1-8(2)9-3-5-14(6-4-9)11(16)13-10(15)7-12/h8-9H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide?
N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 246.74 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroacetyl)-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 103500767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).