3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one

C19H25N5O — CID 154868718

IUPAC3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCn1cnnc1CC1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H25N5O/c1-22-14-20-21-18(22)13-15-7-10-23(11-8-15)17-9-12-24(19(17)25)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3
InChIKeyDABCRMBKXDYHOC-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.88
Rot. Bonds4

About 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 154868718) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID154868718
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCn1cnnc1CC1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H25N5O/c1-22-14-20-21-18(22)13-15-7-10-23(11-8-15)17-9-12-24(19(17)25)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3
InChIKeyDABCRMBKXDYHOC-UHFFFAOYSA-N
XLogP1.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

aniline;3-(cyclopentylmethyl)-4-methyl-1,2,4-triazole
CID 178119274
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4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
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(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
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CID 129007562
3-(2-oxo-1-phenylpyrrolidin-3-yl)-5-propyl-1,3,4-oxadiazol-2-one
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3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 167883650
(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 124505781
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 50953559
2-methyl-1-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]indole-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one (CID 154868718) is 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one is Cn1cnnc1CC1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is DABCRMBKXDYHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-14-20-21-18(22)13-15-7-10-23(11-8-15)17-9-12-24(19(17)25)16-5-3-2-4-6-16/h2-6,14-15,17H,7-13H2,1H3.
What are the key properties of 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 154868718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).