(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

C18H22N4O — CID 95157198

IUPAC(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-6-12-21(13)18(23)16-19-17(14-10-11-14)22(20-16)15-8-3-2-4-9-15/h2-4,8-9,13-14H,5-7,10-12H2,1H3/t13-/m1/s1
InChIKeyKRBAEUTWDUVTER-CYBMUJFWSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds3

About (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 95157198) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID95157198
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1
InChIInChI=1S/C18H22N4O/c1-13-7-5-6-12-21(13)18(23)16-19-17(14-10-11-14)22(20-16)15-8-3-2-4-9-15/h2-4,8-9,13-14H,5-7,10-12H2,1H3/t13-/m1/s1
InChIKeyKRBAEUTWDUVTER-CYBMUJFWSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86934579
(4-tert-butylazepan-1-yl)-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86961357
(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95756843
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86946887
5-methoxy-6-[(2S)-2-methylpiperidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 8553150
(5-ethyl-1-phenyl-1,2,4-triazol-3-yl)-(5-methyl-1,4-oxazepan-4-yl)methanone
CID 136520447
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7420611
5-cyclopropyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxylic acid
CID 43652462
5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86958756
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86905502
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
[4-(cyclohexanecarbonylamino)phenyl] 5-cyclopropyl-1-phenyl-1,2,4-triazole-3-carboxylate
CID 86934045

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 95157198) is (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1.
What is the InChIKey of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is KRBAEUTWDUVTER-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-5-6-12-21(13)18(23)16-19-17(14-10-11-14)22(20-16)15-8-3-2-4-9-15/h2-4,8-9,13-14H,5-7,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95157198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).