N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide

C18H28N4O — CID 91373409

IUPACN-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)N(N)C3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N4O/c1-20-10-12-21(13-11-20)14-15-6-8-16(9-7-15)18(23)22(19)17-4-2-3-5-17/h6-9,17H,2-5,10-14,19H2,1H3
InChIKeyOWTUKGJEBZSOIX-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide

N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide (PubChem CID 91373409) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
PubChem CID91373409
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide
SMILESCN1CCN(Cc2ccc(C(=O)N(N)C3CCCC3)cc2)CC1
InChIInChI=1S/C18H28N4O/c1-20-10-12-21(13-11-20)14-15-6-8-16(9-7-15)18(23)22(19)17-4-2-3-5-17/h6-9,17H,2-5,10-14,19H2,1H3
InChIKeyOWTUKGJEBZSOIX-UHFFFAOYSA-N
XLogP1.69
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
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

N-cyclohexyl-3-[[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]methyl]benzohydrazide
CID 91322048
N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 122147482
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-(1-methylazepan-4-yl)benzohydrazide
CID 71608487
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 90653096
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119652718
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 110903145
2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120581023
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide?
The IUPAC name of N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide (CID 91373409) is N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide is CN1CCN(Cc2ccc(C(=O)N(N)C3CCCC3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide?
The InChIKey is OWTUKGJEBZSOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20-10-12-21(13-11-20)14-15-6-8-16(9-7-15)18(23)22(19)17-4-2-3-5-17/h6-9,17H,2-5,10-14,19H2,1H3.
What are the key properties of N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide?
N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide has a molecular weight of 316.45 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 91373409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).