[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone

C20H26N6O2 — CID 119683408

IUPAC[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)nnn1C1CCNCC1
InChIInChI=1S/C20H26N6O2/c1-15-18(22-23-26(15)17-7-9-21-10-8-17)20(28)25-13-11-24(12-14-25)19(27)16-5-3-2-4-6-16/h2-6,17,21H,7-14H2,1H3
InChIKeyYQVOGTFHOBXZBZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.11
Rot. Bonds3

About [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 119683408) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID119683408
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)nnn1C1CCNCC1
InChIInChI=1S/C20H26N6O2/c1-15-18(22-23-26(15)17-7-9-21-10-8-17)20(28)25-13-11-24(12-14-25)19(27)16-5-3-2-4-6-16/h2-6,17,21H,7-14H2,1H3
InChIKeyYQVOGTFHOBXZBZ-UHFFFAOYSA-N
XLogP1.11
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119831869
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119399369
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698748
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 122148386
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
(4-ethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119794876
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697610
(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119790913
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone (CID 119683408) is [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone is Cc1c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)nnn1C1CCNCC1.
What is the InChIKey of [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is YQVOGTFHOBXZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-18(22-23-26(15)17-7-9-21-10-8-17)20(28)25-13-11-24(12-14-25)19(27)16-5-3-2-4-6-16/h2-6,17,21H,7-14H2,1H3.
What are the key properties of [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 382.47 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 119683408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).