[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone

C20H27N5O2 — CID 136553835

IUPAC[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4nc(N)n(C)n4)CC3)CCC2)cc1
InChIInChI=1S/C20H27N5O2/c1-24-19(21)22-17(23-24)14-8-12-25(13-9-14)18(26)20(10-3-11-20)15-4-6-16(27-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H2,21,22,23)
InChIKeyOZBHSSLJPQKYDY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.23
Rot. Bonds4

About [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone

[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone (PubChem CID 136553835) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone
PubChem CID136553835
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4nc(N)n(C)n4)CC3)CCC2)cc1
InChIInChI=1S/C20H27N5O2/c1-24-19(21)22-17(23-24)14-8-12-25(13-9-14)18(26)20(10-3-11-20)15-4-6-16(27-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H2,21,22,23)
InChIKeyOZBHSSLJPQKYDY-UHFFFAOYSA-N
XLogP2.23
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 164695618
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
(3S,4S)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112624
1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119792
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
[1-(4-methoxyphenyl)cyclopropyl]-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078829
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91919120
[1-(4-chlorophenyl)cyclobutyl]-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)methanone
CID 162626556
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone?
The IUPAC name of [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone (CID 136553835) is [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone?
The canonical SMILES for [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone is COc1ccc(C2(C(=O)N3CCC(c4nc(N)n(C)n4)CC3)CCC2)cc1.
What is the InChIKey of [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone?
The InChIKey is OZBHSSLJPQKYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24-19(21)22-17(23-24)14-8-12-25(13-9-14)18(26)20(10-3-11-20)15-4-6-16(27-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H2,21,22,23).
What are the key properties of [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone?
[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclobutyl]methanone is sourced from PubChem (CID 136553835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).