(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide

C11H19N5O2 — CID 137084096

IUPAC(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C11H19N5O2/c1-8(16-5-3-2-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18)/t8-/m0/s1
InChIKeyGYGRCZWDXJHJKG-QMMMGPOBSA-N
MW253.31 g/mol
LogP-0.41
Rot. Bonds4

About (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide

(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide (PubChem CID 137084096) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide
PubChem CID137084096
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C11H19N5O2/c1-8(16-5-3-2-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18)/t8-/m0/s1
InChIKeyGYGRCZWDXJHJKG-QMMMGPOBSA-N
XLogP-0.41
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide with MolForge

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Related Compounds

6-(3-Oxo-3-piperidin-1-yl-propylamino)-2H-[1,2,4]triazine-3,5-dione
CID 647816
6-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 177934184
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 90868092
(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
CID 136997103
1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 137253124
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255352
N-[4-(3-aminopropanoylamino)cyclohexyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255355
N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255356
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 146193093
6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 166125198
4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 170775246
4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
CID 177934214

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide (CID 137084096) is (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide is C[C@@H](C(=O)NCc1n[nH]c(=O)[nH]1)N1CCCCC1.
What is the InChIKey of (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide?
The InChIKey is GYGRCZWDXJHJKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(16-5-3-2-4-6-16)10(17)12-7-9-13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,17)(H2,13,14,15,18)/t8-/m0/s1.
What are the key properties of (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide?
(2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide has a molecular weight of 253.31 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 137084096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).