2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

C18H30N4O — CID 164631601

IUPAC2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(C)n1cnnc1C[C@H]1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C18H30N4O/c1-14(2)22-13-19-20-17(22)10-16-8-9-21(12-16)18(23)11-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3/t16-/m1/s1
InChIKeyOKKQHLSTHUNERM-MRXNPFEDSA-N
MW318.46 g/mol
LogP3.22
Rot. Bonds5

About 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 164631601) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID164631601
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(C)n1cnnc1C[C@H]1CCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C18H30N4O/c1-14(2)22-13-19-20-17(22)10-16-8-9-21(12-16)18(23)11-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3/t16-/m1/s1
InChIKeyOKKQHLSTHUNERM-MRXNPFEDSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45832386
3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
Cyclopentyl-[3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196059
Cyclopentyl-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192598
N-methyl-N-(1-methylpiperidin-4-yl)-3-{1-[2-(3-methyl-4H-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl}propanamide
CID 72877924
2-Cyclopentyl-1-[2-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 87052136
3-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}propan-1-one
CID 87052156
2-Cyclopentyl-1-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidin-1-YL}ethan-1-one
CID 87052175
1-Cyclopentanecarbonyl-2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-YL]piperidine
CID 87052182
1-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-3-methyl-1-butanone
CID 91924099
Cyclopentyl-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 110196052
2-Cyclohexyl-1-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110196053

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone (CID 164631601) is 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is CC(C)n1cnnc1C[C@H]1CCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is OKKQHLSTHUNERM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)22-13-19-20-17(22)10-16-8-9-21(12-16)18(23)11-15-6-4-3-5-7-15/h13-16H,3-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(3R)-3-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 164631601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).