[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone

C20H32N4O — CID 46999411

IUPAC[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone
SMILESCCC[C@H]1C[C@H]1C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C20H32N4O/c1-2-6-16-13-18(16)20(25)23-11-9-17(10-12-23)24-14-19(21-22-24)15-7-4-3-5-8-15/h14-18H,2-13H2,1H3/t16-,18+/m0/s1
InChIKeyUOUCPJJEWFOXMK-FUHWJXTLSA-N
MW344.50 g/mol
LogP3.93
Rot. Bonds5

About [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone

[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone (PubChem CID 46999411) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone
PubChem CID46999411
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone
SMILESCCC[C@H]1C[C@H]1C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C20H32N4O/c1-2-6-16-13-18(16)20(25)23-11-9-17(10-12-23)24-14-19(21-22-24)15-7-4-3-5-8-15/h14-18H,2-13H2,1H3/t16-,18+/m0/s1
InChIKeyUOUCPJJEWFOXMK-FUHWJXTLSA-N
XLogP3.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone 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

[(1S,2R)-2-butylcyclopropyl]-[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]methanone
CID 46991211
[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 46992385
1,4-dicyclohexyltriazole
CID 46204135
[(1S,2R)-2-butylcyclopropyl]-[4-[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 171687025
2-cyclopentyl-1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121021120
4-cyclopropyl-1-(1-ethylsulfonylpyrrolidin-3-yl)triazole
CID 121190734
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
CID 46996851
[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 46983344
1,3-benzodioxol-5-yl-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]methanone
CID 46982872
[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 124892507

Frequently Asked Questions

What is the IUPAC name of [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone?
The IUPAC name of [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone (CID 46999411) is [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone.
What is the SMILES notation for [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone?
The canonical SMILES for [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone is CCC[C@H]1C[C@H]1C(=O)N1CCC(n2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone?
The InChIKey is UOUCPJJEWFOXMK-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-6-16-13-18(16)20(25)23-11-9-17(10-12-23)24-14-19(21-22-24)15-7-4-3-5-8-15/h14-18H,2-13H2,1H3/t16-,18+/m0/s1.
What are the key properties of [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone?
[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone has a molecular weight of 344.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone is sourced from PubChem (CID 46999411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).