N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide

C17H21N5O2 — CID 95111479

IUPACN-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H21N5O2/c1-13(23)18-10-16(24)21-9-5-6-14(11-21)17-20-19-12-22(17)15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyJSAQPGSTSLNMQN-AWEZNQCLSA-N
MW327.39 g/mol
LogP1.11
Rot. Bonds4

About N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide

N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide (PubChem CID 95111479) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
PubChem CID95111479
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1
InChIInChI=1S/C17H21N5O2/c1-13(23)18-10-16(24)21-9-5-6-14(11-21)17-20-19-12-22(17)15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyJSAQPGSTSLNMQN-AWEZNQCLSA-N
XLogP1.11
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 94180666
(4-methylphenyl)-[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192830
[3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 53192818
N-[2-[(3R)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 92631024
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
N-[2-[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110263424
N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-one
CID 124592278
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propan-1-one
CID 124592280
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
(1-benzylpyrazol-4-yl)-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51937170
3-[[(3R)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]pyridine
CID 95111353

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide (CID 95111479) is N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@H](c2nncn2-c2ccccc2)C1.
What is the InChIKey of N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is JSAQPGSTSLNMQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(23)18-10-16(24)21-9-5-6-14(11-21)17-20-19-12-22(17)15-7-3-2-4-8-15/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide?
N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).