N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H24N4OS — CID 120935930

IUPACN-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC1(CNC(=O)C2(n3cccn3)CCNCC2)CCCS1
InChIInChI=1S/C15H24N4OS/c1-14(4-2-11-21-14)12-17-13(20)15(5-8-16-9-6-15)19-10-3-7-18-19/h3,7,10,16H,2,4-6,8-9,11-12H2,1H3,(H,17,20)
InChIKeySLIPFPXEEMGOGG-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.36
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120935930) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120935930
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC1(CNC(=O)C2(n3cccn3)CCNCC2)CCCS1
InChIInChI=1S/C15H24N4OS/c1-14(4-2-11-21-14)12-17-13(20)15(5-8-16-9-6-15)19-10-3-7-18-19/h3,7,10,16H,2,4-6,8-9,11-12H2,1H3,(H,17,20)
InChIKeySLIPFPXEEMGOGG-UHFFFAOYSA-N
XLogP1.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-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-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937895
N-[(1-piperidin-1-ylcyclohexyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918503
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938113
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120933221
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937231
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120935930) is N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CC1(CNC(=O)C2(n3cccn3)CCNCC2)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is SLIPFPXEEMGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-14(4-2-11-21-14)12-17-13(20)15(5-8-16-9-6-15)19-10-3-7-18-19/h3,7,10,16H,2,4-6,8-9,11-12H2,1H3,(H,17,20).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120935930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).