(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

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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).