1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one

C15H25N5O — CID 56780658

IUPAC1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C15H25N5O/c21-15-6-3-8-19(15)10-4-9-18-7-2-1-5-14(18)11-20-13-16-12-17-20/h12-14H,1-11H2
InChIKeyVDEQLJHYZAHPLI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.15
Rot. Bonds6

About 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one

1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 56780658) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID56780658
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C15H25N5O/c21-15-6-3-8-19(15)10-4-9-18-7-2-1-5-14(18)11-20-13-16-12-17-20/h12-14H,1-11H2
InChIKeyVDEQLJHYZAHPLI-UHFFFAOYSA-N
XLogP1.15
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]propyl]pyrrolidin-2-one
CID 95340619
3-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95609927
1-[[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305742
3-[3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 95323720
1-[3-[2-(cyclohexylmethyl)-5-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]propyl]pyrrolidin-2-one
CID 72838650
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95609809
1-[[(2S)-1-(3-methylbutyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95307748
3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]oxolan-2-one
CID 56802708
(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95609795
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzamide
CID 95323908
2-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923308

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one (CID 56780658) is 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCN1CCCCC1Cn1cncn1.
What is the InChIKey of 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is VDEQLJHYZAHPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c21-15-6-3-8-19(15)10-4-9-18-7-2-1-5-14(18)11-20-13-16-12-17-20/h12-14H,1-11H2.
What are the key properties of 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 291.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 56780658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).