(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone

C14H22N4O2 — CID 45191024

IUPAC(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC(O)C1
InChIInChI=1S/C14H22N4O2/c19-12-7-4-8-17(9-12)14(20)13-10-18(16-15-13)11-5-2-1-3-6-11/h10-12,19H,1-9H2
InChIKeyGYVAIWBZXSTTMB-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.38
Rot. Bonds2

About (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone

(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 45191024) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID45191024
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cn(C2CCCCC2)nn1)N1CCCC(O)C1
InChIInChI=1S/C14H22N4O2/c19-12-7-4-8-17(9-12)14(20)13-10-18(16-15-13)11-5-2-1-3-6-11/h10-12,19H,1-9H2
InChIKeyGYVAIWBZXSTTMB-UHFFFAOYSA-N
XLogP1.38
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
[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
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508
2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
(3S)-1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 81126368
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
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
(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
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 45191024) is (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cn(C2CCCCC2)nn1)N1CCCC(O)C1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is GYVAIWBZXSTTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-12-7-4-8-17(9-12)14(20)13-10-18(16-15-13)11-5-2-1-3-6-11/h10-12,19H,1-9H2.
What are the key properties of (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone?
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 45191024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).