1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C16H22F2N4O2 — CID 155879589

IUPAC1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C16H22F2N4O2/c1-20(2)14(24)15(22-8-4-6-19-22)5-3-7-21(11-15)13(23)12-9-16(17,18)10-12/h4,6,8,12H,3,5,7,9-11H2,1-2H3
InChIKeyDKCKAJTWVSXOBH-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.33
Rot. Bonds3

About 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879589) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879589
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C16H22F2N4O2/c1-20(2)14(24)15(22-8-4-6-19-22)5-3-7-21(11-15)13(23)12-9-16(17,18)10-12/h4,6,8,12H,3,5,7,9-11H2,1-2H3
InChIKeyDKCKAJTWVSXOBH-UHFFFAOYSA-N
XLogP1.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-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,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030
1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155871471
N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879948
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878950
N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155878997
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878692
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079
1-(3-methoxypropanoyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873177

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879589) is 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CN(C)C(=O)C1(n2cccn2)CCCN(C(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is DKCKAJTWVSXOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-20(2)14(24)15(22-8-4-6-19-22)5-3-7-21(11-15)13(23)12-9-16(17,18)10-12/h4,6,8,12H,3,5,7,9-11H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).