(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

C20H27N5O — CID 119790913

IUPAC(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(c3ccccc3)CC2C)nnn1C1CCNCC1
InChIInChI=1S/C20H27N5O/c1-14-12-17(16-6-4-3-5-7-16)13-24(14)20(26)19-15(2)25(23-22-19)18-8-10-21-11-9-18/h3-7,14,17-18,21H,8-13H2,1-2H3
InChIKeyLPMZFFIJGZMEHP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.53
Rot. Bonds3

About (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone

(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119790913) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119790913
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
SMILESCc1c(C(=O)N2CC(c3ccccc3)CC2C)nnn1C1CCNCC1
InChIInChI=1S/C20H27N5O/c1-14-12-17(16-6-4-3-5-7-16)13-24(14)20(26)19-15(2)25(23-22-19)18-8-10-21-11-9-18/h3-7,14,17-18,21H,8-13H2,1-2H3
InChIKeyLPMZFFIJGZMEHP-UHFFFAOYSA-N
XLogP2.53
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(3-phenylthiomorpholin-4-yl)methanone;hydrochloride
CID 119708916
[4-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]-phenylmethanone
CID 119683408
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119778435
2-(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689884
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
5-methyl-N-[(3R,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 124691466
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076
(4-benzylpiperidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119671865
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119816937
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124693006
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698748

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone (CID 119790913) is (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is Cc1c(C(=O)N2CC(c3ccccc3)CC2C)nnn1C1CCNCC1.
What is the InChIKey of (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is LPMZFFIJGZMEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-12-17(16-6-4-3-5-7-16)13-24(14)20(26)19-15(2)25(23-22-19)18-8-10-21-11-9-18/h3-7,14,17-18,21H,8-13H2,1-2H3.
What are the key properties of (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone?
(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 353.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119790913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).