N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide

C11H17N5O3 — CID 155937779

IUPACN-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCCN(O)C1=O
InChIInChI=1S/C11H17N5O3/c17-10(4-2-5-15-8-12-7-13-15)14-9-3-1-6-16(19)11(9)18/h7-9,19H,1-6H2,(H,14,17)
InChIKeyHJUNKNJFHDBQNI-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.45
Rot. Bonds5

About N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide

N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 155937779) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID155937779
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCCN(O)C1=O
InChIInChI=1S/C11H17N5O3/c17-10(4-2-5-15-8-12-7-13-15)14-9-3-1-6-16(19)11(9)18/h7-9,19H,1-6H2,(H,14,17)
InChIKeyHJUNKNJFHDBQNI-UHFFFAOYSA-N
XLogP-0.45
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

N-[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555731
N-[(5R)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 94555730
N-[(1S,2S)-2-hydroxycyclooctyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 154565061
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110127909
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 42593228
N-[(1R,2R,3R)-2-hydroxy-3-(3-oxopiperazin-1-yl)cyclohexyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 110128134
N-(cyclooctylmethyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 87042127
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 100839204
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 155937779) is N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NC1CCCN(O)C1=O.
What is the InChIKey of N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is HJUNKNJFHDBQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-10(4-2-5-15-8-12-7-13-15)14-9-3-1-6-16(19)11(9)18/h7-9,19H,1-6H2,(H,14,17).
What are the key properties of N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 267.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-oxopiperidin-3-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 155937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).