2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C17H28N4O — CID 87052136

IUPAC2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)CC1CCCC1
InChIInChI=1S/C17H28N4O/c1-2-10-20-13-18-19-17(20)15-9-5-6-11-21(15)16(22)12-14-7-3-4-8-14/h13-15H,2-12H2,1H3
InChIKeySJKCHMSHKSEYNB-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.32
Rot. Bonds5

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

2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 87052136) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID87052136
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)CC1CCCC1
InChIInChI=1S/C17H28N4O/c1-2-10-20-13-18-19-17(20)15-9-5-6-11-21(15)16(22)12-14-7-3-4-8-14/h13-15H,2-12H2,1H3
InChIKeySJKCHMSHKSEYNB-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
1-(cyclohexylmethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 45224554
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
2-ethyl-9-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70705092
2-ethyl-9-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70773141
N,4-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972493
7-Cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72858894
1-cyclopentyl-N-methyl-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 72860922
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
7-cyclohexyl-2-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72895899
7-isopropyl-2-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72924315

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 87052136) is 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCCn1cnnc1C1CCCCN1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is SJKCHMSHKSEYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-2-10-20-13-18-19-17(20)15-9-5-6-11-21(15)16(22)12-14-7-3-4-8-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 304.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87052136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).