1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide

C17H26N4O2 — CID 72851681

IUPAC1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-20(8-5-13-11-18-19-12-13)16(22)15-6-9-21(10-7-15)17(23)14-3-2-4-14/h11-12,14-15H,2-10H2,1H3,(H,18,19)
InChIKeyLBOJLLCLIZWKLG-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.45
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 72851681) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID72851681
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCN(CCc1cn[nH]c1)C(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H26N4O2/c1-20(8-5-13-11-18-19-12-13)16(22)15-6-9-21(10-7-15)17(23)14-3-2-4-14/h11-12,14-15H,2-10H2,1H3,(H,18,19)
InChIKeyLBOJLLCLIZWKLG-UHFFFAOYSA-N
XLogP1.45
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-3-carboxamide
CID 24790680
1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
1-[3-(1H-pyrazol-4-yl)propanoyl]-4-(trifluoromethyl)piperidine
CID 131904704
N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132302263
7-(Cyclobutylmethyl)-2-[3-(1H-pyrazol-4-YL)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45205270
N-isopropyl-1'-[4-(1H-pyrazol-4-yl)butanoyl]-1,4'-bipiperidine-4-carboxamide
CID 56744883
1'-(cyclopropylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 56870223
(4-methylpiperidin-1-yl)-[1-[3-(1H-pyrazol-4-yl)propyl]piperidin-3-yl]methanone
CID 71869022
1-[2-(1H-pyrazol-4-yl)ethyl]piperidine-2,6-dione
CID 118889077
1-[3-(1H-pyrazol-4-yl)propyl]piperidine-2,6-dione
CID 134175738
2-methyl-1-[3-(1H-pyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 137429359
(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;hydrochloride
CID 155194710

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide (CID 72851681) is 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide is CN(CCc1cn[nH]c1)C(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is LBOJLLCLIZWKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(8-5-13-11-18-19-12-13)16(22)15-6-9-21(10-7-15)17(23)14-3-2-4-14/h11-12,14-15H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 72851681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).