4-(4-cyclohexylpiperazin-1-yl)benzohydrazide

C17H26N4O — CID 20655195

IUPAC4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N4O/c18-19-17(22)14-6-8-16(9-7-14)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13,18H2,(H,19,22)
InChIKeyWWOZFVQWHNNWKI-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.74
Rot. Bonds3

About 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide

4-(4-cyclohexylpiperazin-1-yl)benzohydrazide (PubChem CID 20655195) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide.

Molecular Properties

Compound Name4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
PubChem CID20655195
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
SMILESNNC(=O)c1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N4O/c18-19-17(22)14-6-8-16(9-7-14)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13,18H2,(H,19,22)
InChIKeyWWOZFVQWHNNWKI-UHFFFAOYSA-N
XLogP1.74
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(Diethylamino)benzohydrazide
CID 2063864
p-(Dimethylamino)benzohydrazide
CID 88019
1-Benzoyl-4-phenylpiperazine
CID 258240
N-[4-(4-Phenyl-piperazin-1-yl)-butyl]-benzamide
CID 14162480
N'-butyl-4-(dimethylamino)benzohydrazide
CID 71306440
1-[4-(4-Benzylpiperazin-1-yl)phenyl]ethanone
CID 757808
6-(N-(4-aminobutyl)-N-ethyl)amino-2,3-dihydrophthalazine-1,4-dione
CID 196441
Acyl Hydrazone, 8
CID 6898921
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
CID 117094795
N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydrochloride salt (12a)
CID 77014300
N-{4-[N'-(3-Methyl-benzoyl)-hydrazinocarbonyl]-phenyl}-acetamide
CID 815559
2,2-dimethyl-N-{4-[N-(phenylcarbonylamino)carbamoyl]phenyl}propanamide
CID 815570

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide?
The IUPAC name of 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide (CID 20655195) is 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide.
What is the SMILES notation for 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide?
The canonical SMILES for 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide is NNC(=O)c1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide?
The InChIKey is WWOZFVQWHNNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c18-19-17(22)14-6-8-16(9-7-14)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h6-9,15H,1-5,10-13,18H2,(H,19,22).
What are the key properties of 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide?
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide has a molecular weight of 302.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperazin-1-yl)benzohydrazide is sourced from PubChem (CID 20655195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).