(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

C19H25N5O — CID 119703030

IUPAC(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c25-19(18-14-24(22-21-18)17-6-10-20-11-7-17)23-12-8-16(9-13-23)15-4-2-1-3-5-15/h1-5,14,16-17,20H,6-13H2
InChIKeyXMQMAGFWTOPSKU-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.22
Rot. Bonds3

About (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119703030) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119703030
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c25-19(18-14-24(22-21-18)17-6-10-20-11-7-17)23-12-8-16(9-13-23)15-4-2-1-3-5-15/h1-5,14,16-17,20H,6-13H2
InChIKeyXMQMAGFWTOPSKU-UHFFFAOYSA-N
XLogP2.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
(2-phenylazepan-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119737784
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119703030) is (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is O=C(c1cn(C2CCNCC2)nn1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is XMQMAGFWTOPSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(18-14-24(22-21-18)17-6-10-20-11-7-17)23-12-8-16(9-13-23)15-4-2-1-3-5-15/h1-5,14,16-17,20H,6-13H2.
What are the key properties of (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119703030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).