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

C19H25N5O — CID 119790919

IUPAC(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCC1CC(c2ccccc2)CN1C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O/c1-14-11-16(15-5-3-2-4-6-15)12-23(14)19(25)18-13-24(22-21-18)17-7-9-20-10-8-17/h2-6,13-14,16-17,20H,7-12H2,1H3
InChIKeyLLNVDMDJLHOPKM-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.22
Rot. Bonds3

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

(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119790919) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119790919
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCC1CC(c2ccccc2)CN1C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H25N5O/c1-14-11-16(15-5-3-2-4-6-15)12-23(14)19(25)18-13-24(22-21-18)17-7-9-20-10-8-17/h2-6,13-14,16-17,20H,7-12H2,1H3
InChIKeyLLNVDMDJLHOPKM-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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Related Compounds

(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
(2-methyl-4-phenylpyrrolidin-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119790913
[(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
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119893301
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119784336
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119747100
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119790919) is (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is CC1CC(c2ccccc2)CN1C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is LLNVDMDJLHOPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-11-16(15-5-3-2-4-6-15)12-23(14)19(25)18-13-24(22-21-18)17-7-9-20-10-8-17/h2-6,13-14,16-17,20H,7-12H2,1H3.
What are the key properties of (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(2-methyl-4-phenylpyrrolidin-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 (2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119790919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).