(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone

C22H30N4O3 — CID 42190508

IUPAC(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(C4CCCCC4)nn3)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-28-19-9-11-20(12-10-19)29-16-17-6-5-13-25(14-17)22(27)21-15-26(24-23-21)18-7-3-2-4-8-18/h9-12,15,17-18H,2-8,13-14,16H2,1H3/t17-/m1/s1
InChIKeyDLMPSLCDTNCHEB-QGZVFWFLSA-N
MW398.51 g/mol
LogP3.72
Rot. Bonds6

About (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone

(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 42190508) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID42190508
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(C4CCCCC4)nn3)C2)cc1
InChIInChI=1S/C22H30N4O3/c1-28-19-9-11-20(12-10-19)29-16-17-6-5-13-25(14-17)22(27)21-15-26(24-23-21)18-7-3-2-4-8-18/h9-12,15,17-18H,2-8,13-14,16H2,1H3/t17-/m1/s1
InChIKeyDLMPSLCDTNCHEB-QGZVFWFLSA-N
XLogP3.72
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
[1-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 45172354
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
2-[3-[(4-methoxyphenoxy)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118787801
[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70749855
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone (CID 42190508) is (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone is COc1ccc(OC[C@@H]2CCCN(C(=O)c3cn(C4CCCCC4)nn3)C2)cc1.
What is the InChIKey of (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is DLMPSLCDTNCHEB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-28-19-9-11-20(12-10-19)29-16-17-6-5-13-25(14-17)22(27)21-15-26(24-23-21)18-7-3-2-4-8-18/h9-12,15,17-18H,2-8,13-14,16H2,1H3/t17-/m1/s1.
What are the key properties of (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42190508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).