[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

C20H28N6O — CID 119832564

IUPAC[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C20H28N6O/c1-16-4-2-3-5-17(16)14-24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)18-6-8-21-9-7-18/h2-5,15,18,21H,6-14H2,1H3
InChIKeyUURJQOWUQUHTJC-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.47
Rot. Bonds4

About [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119832564) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119832564
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C20H28N6O/c1-16-4-2-3-5-17(16)14-24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)18-6-8-21-9-7-18/h2-5,15,18,21H,6-14H2,1H3
InChIKeyUURJQOWUQUHTJC-UHFFFAOYSA-N
XLogP1.47
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119845153
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
N-(3-methylphenyl)-4-(1-piperidin-4-yltriazole-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 119765327
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124687010
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 122148386

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119832564) is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is Cc1ccccc1CN1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1.
What is the InChIKey of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is UURJQOWUQUHTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-16-4-2-3-5-17(16)14-24-10-12-25(13-11-24)20(27)19-15-26(23-22-19)18-6-8-21-9-7-18/h2-5,15,18,21H,6-14H2,1H3.
What are the key properties of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 368.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119832564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).