2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone

C21H33N5O — CID 87051832

IUPAC2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCN1CCC2(CC1)CN(C(=O)CC1CCCC1)CC2c1nc(C2CC2)n[nH]1
InChIInChI=1S/C21H33N5O/c1-25-10-8-21(9-11-25)14-26(18(27)12-15-4-2-3-5-15)13-17(21)20-22-19(23-24-20)16-6-7-16/h15-17H,2-14H2,1H3,(H,22,23,24)
InChIKeyICRFZBILORPOIM-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.90
Rot. Bonds4

About 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone

2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone (PubChem CID 87051832) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
PubChem CID87051832
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
SMILESCN1CCC2(CC1)CN(C(=O)CC1CCCC1)CC2c1nc(C2CC2)n[nH]1
InChIInChI=1S/C21H33N5O/c1-25-10-8-21(9-11-25)14-26(18(27)12-15-4-2-3-5-15)13-17(21)20-22-19(23-24-20)16-6-7-16/h15-17H,2-14H2,1H3,(H,22,23,24)
InChIKeyICRFZBILORPOIM-UHFFFAOYSA-N
XLogP2.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

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
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-{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
2-cyclohexyl-1-[3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 124071985
(6S)-2-cyclopentyl-8-[2-(5-methyl-1H-1,2,4-triazol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96393573
(6R)-2-(cyclopropylmethyl)-8-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96405202
2-cyclohexyl-1-[(3R)-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 164632134

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 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) is 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone is CN1CCC2(CC1)CN(C(=O)CC1CCCC1)CC2c1nc(C2CC2)n[nH]1.
What is the InChIKey of 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is ICRFZBILORPOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-25-10-8-21(9-11-25)14-26(18(27)12-15-4-2-3-5-15)13-17(21)20-22-19(23-24-20)16-6-7-16/h15-17H,2-14H2,1H3,(H,22,23,24).
What are the key properties of 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone?
2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 87051832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).