N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide

C16H28N4O — CID 146123101

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCCCC2CC(C)C)cnn1C
InChIInChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)17-10-14-11-18-19(4)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,17,21)
InChIKeyAPPBAGAPFIYJAP-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.84
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 146123101) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID146123101
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCCCC2CC(C)C)cnn1C
InChIInChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)17-10-14-11-18-19(4)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,17,21)
InChIKeyAPPBAGAPFIYJAP-UHFFFAOYSA-N
XLogP2.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-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-adamantyl-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]urea
CID 2930834
1-(1-Adamantyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea
CID 2931972
1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-(1-adamantyl)-N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]urea
CID 4159792
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
N-[(3-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[5.5]undecane-2-carboxamide
CID 127888702
1-Cyclohexyl-3-((4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methyl)urea
CID 91629697
N-[2-(1,5-Dimethylpyrazol-4-YL)ethyl]-3,5-dimethylazepane-1-carboxamide
CID 71910881
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 99621906
1-(cyclobutylmethyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-propan-2-ylurea
CID 99838721

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide (CID 146123101) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide is Cc1c(CNC(=O)N2CCCCC2CC(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is APPBAGAPFIYJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)9-15-7-5-6-8-20(15)16(21)17-10-14-11-18-19(4)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,17,21).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 146123101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).