3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

C13H19ClN4O — CID 62728860

IUPAC3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCC(CCl)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-10(9-14)12(19)17-11-3-7-18(8-4-11)13-15-5-2-6-16-13/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyJSAZXLGPQMDYCB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.44
Rot. Bonds4

About 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide

3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (PubChem CID 62728860) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
PubChem CID62728860
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
SMILESCC(CCl)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H19ClN4O/c1-10(9-14)12(19)17-11-3-7-18(8-4-11)13-15-5-2-6-16-13/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19)
InChIKeyJSAZXLGPQMDYCB-UHFFFAOYSA-N
XLogP1.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide 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

2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
CID 103831283
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
1-(2-methyl-3-methylsulfanylpropanoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 136540184
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide (CID 62728860) is 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is CC(CCl)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is JSAZXLGPQMDYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-10(9-14)12(19)17-11-3-7-18(8-4-11)13-15-5-2-6-16-13/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19).
What are the key properties of 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide?
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 282.77 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 62728860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).