2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C17H26N4O — CID 53192195

IUPAC2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C17H26N4O/c22-15(10-12-4-1-2-5-12)21-9-3-6-14(11-21)17-18-16(19-20-17)13-7-8-13/h12-14H,1-11H2,(H,18,19,20)
InChIKeyFEJQPTPWKBZKFZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.97
Rot. Bonds4

About 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192195) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192195
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C17H26N4O/c22-15(10-12-4-1-2-5-12)21-9-3-6-14(11-21)17-18-16(19-20-17)13-7-8-13/h12-14H,1-11H2,(H,18,19,20)
InChIKeyFEJQPTPWKBZKFZ-UHFFFAOYSA-N
XLogP2.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-4-oxo-N-propylbutanamide
CID 75463312
cyclobutyl-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 110196457
cyclohexyl[3-(5-ethyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192128
cyclopentyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192204
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 87051832
1-Cyclopropanecarbonyl-4-[(5-cyclopropyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 91909437
2-cyclopentyl-1-{3-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl}-1-ethanone
CID 91914622
3-cyclopentyl-1-[4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 91920138
cyclopentyl-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 110194773
1-Cyclopentanecarbonyl-4-[(5-methyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 110196460
1-Cyclopropanecarbonyl-4-[(5-ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidine
CID 124043116

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192195) is 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is FEJQPTPWKBZKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c22-15(10-12-4-1-2-5-12)21-9-3-6-14(11-21)17-18-16(19-20-17)13-7-8-13/h12-14H,1-11H2,(H,18,19,20).
What are the key properties of 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).