1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide

C24H30N4O2 — CID 31962588

IUPAC1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C24H30N4O2/c29-22(12-15-27-16-18-28(19-17-27)21-10-5-2-6-11-21)25-26-23(30)24(13-7-14-24)20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,25,29)(H,26,30)
InChIKeyXZIDMOPXYOJMJS-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.47
Rot. Bonds6

About 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide

1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide (PubChem CID 31962588) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
PubChem CID31962588
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C24H30N4O2/c29-22(12-15-27-16-18-28(19-17-27)21-10-5-2-6-11-21)25-26-23(30)24(13-7-14-24)20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,25,29)(H,26,30)
InChIKeyXZIDMOPXYOJMJS-UHFFFAOYSA-N
XLogP2.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(3-piperidin-1-ylpropanoyl)cyclopentane-1-carboxamide
CID 4294813
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
N-(cyclohexylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 7955784
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
N'-[3-(4-chlorophenyl)sulfanylpropanoyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4541503
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]cyclopentane-1-carboxamide
CID 46483063
(2S)-2-phenoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 7551063
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
3-(3-but-3-ynyldiazirin-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]propanehydrazide
CID 166417596
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 55537878

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide?
The IUPAC name of 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide (CID 31962588) is 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide?
The canonical SMILES for 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide?
The InChIKey is XZIDMOPXYOJMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-22(12-15-27-16-18-28(19-17-27)21-10-5-2-6-11-21)25-26-23(30)24(13-7-14-24)20-8-3-1-4-9-20/h1-6,8-11H,7,12-19H2,(H,25,29)(H,26,30).
What are the key properties of 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide?
1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide has a molecular weight of 406.53 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]cyclobutane-1-carbohydrazide is sourced from PubChem (CID 31962588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).