N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide

C10H17ClN2O — CID 107068571

IUPACN-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1NCCCC1C
InChIInChI=1S/C10H17ClN2O/c1-7-4-3-5-12-9(7)10(14)13-6-8(2)11/h7,9,12H,2-6H2,1H3,(H,13,14)
InChIKeyNNBZAGPVXCGTFU-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.24
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide

N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068571) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068571
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC NameN-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1NCCCC1C
InChIInChI=1S/C10H17ClN2O/c1-7-4-3-5-12-9(7)10(14)13-6-8(2)11/h7,9,12H,2-6H2,1H3,(H,13,14)
InChIKeyNNBZAGPVXCGTFU-UHFFFAOYSA-N
XLogP1.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-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-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
3-methyl-N-(2-methyl-2-methylsulfonylpropyl)piperidine-2-carboxamide
CID 79551044
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-(2,3-dimethylbutyl)-3-methylpiperidine-2-carboxamide
CID 64599745
N-(2,3-dihydroxypropyl)-3-methylpiperidine-2-carboxamide
CID 107068312
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methylpiperidine-2-carboxamide
CID 62340118
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
CID 131107148
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide (CID 107068571) is N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide is C=C(Cl)CNC(=O)C1NCCCC1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is NNBZAGPVXCGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-7-4-3-5-12-9(7)10(14)13-6-8(2)11/h7,9,12H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide?
N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 216.71 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).