3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide

C17H28N4O — CID 138010574

IUPAC3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCn1nccc1CNC(=O)N1CCCC(C2CCCC2)C1
InChIInChI=1S/C17H28N4O/c1-2-21-16(9-10-19-21)12-18-17(22)20-11-5-8-15(13-20)14-6-3-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,18,22)
InChIKeyOPDYMSPCUGJCKH-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.01
Rot. Bonds4

About 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide

3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 138010574) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID138010574
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
SMILESCCn1nccc1CNC(=O)N1CCCC(C2CCCC2)C1
InChIInChI=1S/C17H28N4O/c1-2-21-16(9-10-19-21)12-18-17(22)20-11-5-8-15(13-20)14-6-3-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,18,22)
InChIKeyOPDYMSPCUGJCKH-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 115762067
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300
trans-(1R,2R)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521016
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
CID 115761657

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide (CID 138010574) is 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide is CCn1nccc1CNC(=O)N1CCCC(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is OPDYMSPCUGJCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-21-16(9-10-19-21)12-18-17(22)20-11-5-8-15(13-20)14-6-3-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,18,22).
What are the key properties of 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide?
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138010574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).