3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide

C13H22N4O — CID 106212709

IUPAC3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1(C)C)c1cn[nH]c1
InChIInChI=1S/C13H22N4O/c1-9(10-7-15-16-8-10)17-12(18)11-13(2,3)5-4-6-14-11/h7-9,11,14H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBUZWMRYTQVZGQK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds3

About 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide

3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide (PubChem CID 106212709) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide
PubChem CID106212709
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1(C)C)c1cn[nH]c1
InChIInChI=1S/C13H22N4O/c1-9(10-7-15-16-8-10)17-12(18)11-13(2,3)5-4-6-14-11/h7-9,11,14H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBUZWMRYTQVZGQK-UHFFFAOYSA-N
XLogP1.37
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
(1R,2S,5S)-N-[cyano(1H-pyrazol-4-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175899488
4,4-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 103860811
N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834427

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide (CID 106212709) is 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)C1NCCCC1(C)C)c1cn[nH]c1.
What is the InChIKey of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is BUZWMRYTQVZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(10-7-15-16-8-10)17-12(18)11-13(2,3)5-4-6-14-11/h7-9,11,14H,4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide?
3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 106212709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).