(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone

C21H22N4O — CID 110702375

IUPAC(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-16-22-25(23-20)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2
InChIKeyPNVFDEQUIFTICG-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.36
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone

(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone (PubChem CID 110702375) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
PubChem CID110702375
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22N4O/c26-21(20-16-22-25(23-20)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2
InChIKeyPNVFDEQUIFTICG-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 99983988
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(5-benzyl-1-phenyl-1,2,4-triazol-3-yl)-(4-benzylpiperidin-1-yl)methanone
CID 42692813
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone (CID 110702375) is (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
The InChIKey is PNVFDEQUIFTICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(20-16-22-25(23-20)19-9-5-2-6-10-19)24-13-11-18(12-14-24)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 110702375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).