N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide

C10H15N3O3 — CID 82509744

IUPACN-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(CO)C(=O)N1CCNCC1
InChIInChI=1S/C10H15N3O3/c1-2-9(15)12-8(7-14)10(16)13-5-3-11-4-6-13/h1,8,11,14H,3-7H2,(H,12,15)
InChIKeyALAFVRCLNSXYGR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-2.47
Rot. Bonds3

About N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide

N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide (PubChem CID 82509744) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide
PubChem CID82509744
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide
SMILESC#CC(=O)NC(CO)C(=O)N1CCNCC1
InChIInChI=1S/C10H15N3O3/c1-2-9(15)12-8(7-14)10(16)13-5-3-11-4-6-13/h1,8,11,14H,3-7H2,(H,12,15)
InChIKeyALAFVRCLNSXYGR-UHFFFAOYSA-N
XLogP-2.47
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-2.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)-3-methylurea
CID 82510100
1-methyl-3-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82510029
N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 141278807
[3-(2-chlorophenyl)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamic acid
CID 122602624
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
2-amino-1-piperazin-1-ylhex-5-yn-1-one
CID 82505467
2,4-dichloro-N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]benzenesulfonamide
CID 59868380
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-methyl-N-(1-oxo-1-piperazin-1-ylpropan-2-yl)propanamide
CID 82020267
2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide
CID 82020291
2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide?
The IUPAC name of N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide (CID 82509744) is N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide.
What is the SMILES notation for N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide?
The canonical SMILES for N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide is C#CC(=O)NC(CO)C(=O)N1CCNCC1.
What is the InChIKey of N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide?
The InChIKey is ALAFVRCLNSXYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-9(15)12-8(7-14)10(16)13-5-3-11-4-6-13/h1,8,11,14H,3-7H2,(H,12,15).
What are the key properties of N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide?
N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide has a molecular weight of 225.25 g/mol, XLogP of -2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl)prop-2-ynamide is sourced from PubChem (CID 82509744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).