2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

C17H28ClN3O — CID 155207531

IUPAC2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1
InChIInChI=1S/C17H28ClN3O/c1-13(2)10-14-11-19-21(12-14)17(5)6-8-20(9-7-17)15(22)16(3,4)18/h11-13H,6-10H2,1-5H3
InChIKeyBYYPIZSXJHCRFT-UHFFFAOYSA-N
MW325.88 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one

2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 155207531) has the molecular formula C17H28ClN3O and a molecular weight of 325.88 g/mol. Its IUPAC name is 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID155207531
Molecular FormulaC17H28ClN3O
Molecular Weight325.88 g/mol
Exact Mass325.19
IUPAC Name2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)Cc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1
InChIInChI=1S/C17H28ClN3O/c1-13(2)10-14-11-19-21(12-14)17(5)6-8-20(9-7-17)15(22)16(3,4)18/h11-13H,6-10H2,1-5H3
InChIKeyBYYPIZSXJHCRFT-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one 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

1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72873054
1-(cyclobutylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-4-piperidinecarboxamide
CID 72888061
1-isopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72915942
1-cyclopentyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-6-oxo-3-piperidinecarboxamide
CID 72923965
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 155207496
3-Fluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155207530
[4-Methyl-4-(4-propylpyrazol-1-yl)piperidin-1-yl]-[1-(trifluoromethyl)cyclobutyl]methanone
CID 155207964
2-Fluoro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710452
3,3,3-Trifluoro-2,2-dimethyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 155710453
[4-Methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 155710597
[1-(Difluoromethyl)cyclopropyl]-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 155710669

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one (CID 155207531) is 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)Cc1cnn(C2(C)CCN(C(=O)C(C)(C)Cl)CC2)c1.
What is the InChIKey of 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is BYYPIZSXJHCRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O/c1-13(2)10-14-11-19-21(12-14)17(5)6-8-20(9-7-17)15(22)16(3,4)18/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one?
2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 325.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-1-[4-methyl-4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155207531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).