2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C17H27N5O — CID 119874123

IUPAC2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C17H27N5O/c23-16(12-13-6-5-9-18-13)21-10-3-1-7-14(21)17-20-19-15-8-2-4-11-22(15)17/h13-14,18H,1-12H2
InChIKeyABSYWHOZYMQXDV-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.81
Rot. Bonds3

About 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 119874123) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID119874123
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C17H27N5O/c23-16(12-13-6-5-9-18-13)21-10-3-1-7-14(21)17-20-19-15-8-2-4-11-22(15)17/h13-14,18H,1-12H2
InChIKeyABSYWHOZYMQXDV-UHFFFAOYSA-N
XLogP1.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-cyclopent-2-en-1-yl-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51308003
3-piperidin-4-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119874118
N-methyl-N-[2-oxo-2-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethyl]acetamide
CID 94098662
1-[2-(4-chlorophenyl)azepan-1-yl]-2-pyrrolidin-2-ylethanone
CID 119792751
2-cyclohexyl-1-[(2S)-2-(7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 95833982
2-pyrrolidin-2-yl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 119839638
2-amino-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentan-1-one
CID 119874097
3-(3,4-difluorophenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 55618338
2-(2-methylphenyl)-1-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]ethanone
CID 51981759
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 94022364
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]methanone
CID 94022365
(Z)-3-cyclopropyl-1-[(2R)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]but-2-en-1-one
CID 94650590

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 119874123) is 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is O=C(CC1CCCN1)N1CCCCC1c1nnc2n1CCCC2.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is ABSYWHOZYMQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-16(12-13-6-5-9-18-13)21-10-3-1-7-14(21)17-20-19-15-8-2-4-11-22(15)17/h13-14,18H,1-12H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?
2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 317.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119874123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).