2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H23N5O2 — CID 119625181

IUPAC2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2ccccn2c1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23N5O2/c23-16(12-22-17(24)21-8-2-1-3-15(21)19-22)20-9-6-14(7-10-20)18-11-13-4-5-13/h1-3,8,13-14,18H,4-7,9-12H2
InChIKeyIIFZKFZYMSQBET-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.49
Rot. Bonds5

About 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 119625181) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID119625181
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(Cn1nc2ccccn2c1=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H23N5O2/c23-16(12-22-17(24)21-8-2-1-3-15(21)19-22)20-9-6-14(7-10-20)18-11-13-4-5-13/h1-3,8,13-14,18H,4-7,9-12H2
InChIKeyIIFZKFZYMSQBET-UHFFFAOYSA-N
XLogP0.49
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119546709
N-[[1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 71894914
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 114680383
2-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 120658991
2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 47150555
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102738312
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95573610
2-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115874668
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 94024374
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
CID 166181192
3-(benzimidazol-1-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622650
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94095579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 119625181) is 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(Cn1nc2ccccn2c1=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is IIFZKFZYMSQBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-16(12-22-17(24)21-8-2-1-3-15(21)19-22)20-9-6-14(7-10-20)18-11-13-4-5-13/h1-3,8,13-14,18H,4-7,9-12H2.
What are the key properties of 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 329.40 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 119625181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).