2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide

C18H26N4O4 — CID 54847688

IUPAC2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide
SMILESNNC(=O)CC1C(=O)NCCN1Cc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H26N4O4/c19-21-17(23)10-16-18(24)20-7-8-22(16)11-13-3-5-14(6-4-13)26-12-15-2-1-9-25-15/h3-6,15-16H,1-2,7-12,19H2,(H,20,24)(H,21,23)
InChIKeyTYCJTQKQEOBKRD-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.08
Rot. Bonds7

About 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide

2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide (PubChem CID 54847688) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide.

Molecular Properties

Compound Name2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide
PubChem CID54847688
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide
SMILESNNC(=O)CC1C(=O)NCCN1Cc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H26N4O4/c19-21-17(23)10-16-18(24)20-7-8-22(16)11-13-3-5-14(6-4-13)26-12-15-2-1-9-25-15/h3-6,15-16H,1-2,7-12,19H2,(H,20,24)(H,21,23)
InChIKeyTYCJTQKQEOBKRD-UHFFFAOYSA-N
XLogP-0.08
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[3-oxo-1-[2-oxo-2-[4-(oxolan-2-ylmethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54823027
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
2-[1-[(2,6-dichlorophenyl)methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 2806020
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 45251521
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 56900647
2-[1-[[3-(3-methylbutoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 54847910
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
CID 51099333
1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-pyridin-4-ylpiperazine
CID 120910784
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42095722
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717377
oxolan-2-ylmethyl 2-[1-[[4-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4937580

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide?
The IUPAC name of 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide (CID 54847688) is 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide.
What is the SMILES notation for 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide?
The canonical SMILES for 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide is NNC(=O)CC1C(=O)NCCN1Cc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide?
The InChIKey is TYCJTQKQEOBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c19-21-17(23)10-16-18(24)20-7-8-22(16)11-13-3-5-14(6-4-13)26-12-15-2-1-9-25-15/h3-6,15-16H,1-2,7-12,19H2,(H,20,24)(H,21,23).
What are the key properties of 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide?
2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide has a molecular weight of 362.43 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-1-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperazin-2-yl]acetohydrazide is sourced from PubChem (CID 54847688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).