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

C16H24N4O — CID 53192204

IUPACcyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H24N4O/c21-16(12-4-1-2-5-12)20-9-3-6-13(10-20)15-17-14(18-19-15)11-7-8-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyCIHHGPFZZBUIJX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.58
Rot. Bonds3

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

cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192204) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192204
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Namecyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C16H24N4O/c21-16(12-4-1-2-5-12)20-9-3-6-13(10-20)15-17-14(18-19-15)11-7-8-11/h11-13H,1-10H2,(H,17,18,19)
InChIKeyCIHHGPFZZBUIJX-UHFFFAOYSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-cyclopropylpropan-1-one
CID 71928722
2-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72877738
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
2-Cyclopentyl-1-[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]-1-ethanone
CID 53192195
Cyclohexyl[3-(5-cyclopropyl-4H-1,2,4-triazol-3-YL)piperidino]methanone
CID 53192219
n-[(3s,4s)-4-(3-Methyl-1h-1,2,4-triazol-5-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 86820534
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

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192204) is cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is CIHHGPFZZBUIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(12-4-1-2-5-12)20-9-3-6-13(10-20)15-17-14(18-19-15)11-7-8-11/h11-13H,1-10H2,(H,17,18,19).
What are the key properties of cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).