(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone

C19H31N5O2 — CID 25381434

IUPAC(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H31N5O2/c25-17-7-4-10-23(13-17)15-8-11-22(12-9-15)19(26)18-14-24(21-20-18)16-5-2-1-3-6-16/h14-17,25H,1-13H2/t17-/m0/s1
InChIKeySWEGAAWZNQFSBM-KRWDZBQOSA-N
MW361.49 g/mol
LogP1.84
Rot. Bonds3

About (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone

(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 25381434) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
PubChem CID25381434
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCC(N2CCC[C@H](O)C2)CC1
InChIInChI=1S/C19H31N5O2/c25-17-7-4-10-23(13-17)15-8-11-22(12-9-15)19(26)18-14-24(21-20-18)16-5-2-1-3-6-16/h14-17,25H,1-13H2/t17-/m0/s1
InChIKeySWEGAAWZNQFSBM-KRWDZBQOSA-N
XLogP1.84
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(azetidin-3-yl)triazol-4-yl]methanone
CID 79318684
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone
CID 167775813
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone (CID 25381434) is (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone is O=C(c1cn(C2CCCCC2)nn1)N1CCC(N2CCC[C@H](O)C2)CC1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is SWEGAAWZNQFSBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O2/c25-17-7-4-10-23(13-17)15-8-11-22(12-9-15)19(26)18-14-24(21-20-18)16-5-2-1-3-6-16/h14-17,25H,1-13H2/t17-/m0/s1.
What are the key properties of (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone?
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25381434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).