4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide

C18H29N5O — CID 143419597

IUPAC4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
SMILESCN1CCN(C2CCN(Cc3ccc(C(=O)NN)cc3)CC2)CC1
InChIInChI=1S/C18H29N5O/c1-21-10-12-23(13-11-21)17-6-8-22(9-7-17)14-15-2-4-16(5-3-15)18(24)20-19/h2-5,17H,6-14,19H2,1H3,(H,20,24)
InChIKeyJYCWSJVPWGPHFP-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.50
Rot. Bonds4

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

4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide (PubChem CID 143419597) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide.

Molecular Properties

Compound Name4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
PubChem CID143419597
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
SMILESCN1CCN(C2CCN(Cc3ccc(C(=O)NN)cc3)CC2)CC1
InChIInChI=1S/C18H29N5O/c1-21-10-12-23(13-11-21)17-6-8-22(9-7-17)14-15-2-4-16(5-3-15)18(24)20-19/h2-5,17H,6-14,19H2,1H3,(H,20,24)
InChIKeyJYCWSJVPWGPHFP-UHFFFAOYSA-N
XLogP0.50
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
CID 79164962
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
N-(1-amino-2-methylpropan-2-yl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119521599
N-(4-aminophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 84614037
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
N-(2-amino-1-cyclohexylethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119589185
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 63577895

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide?
The IUPAC name of 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide (CID 143419597) is 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide.
What is the SMILES notation for 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide?
The canonical SMILES for 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide is CN1CCN(C2CCN(Cc3ccc(C(=O)NN)cc3)CC2)CC1.
What is the InChIKey of 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide?
The InChIKey is JYCWSJVPWGPHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-10-12-23(13-11-21)17-6-8-22(9-7-17)14-15-2-4-16(5-3-15)18(24)20-19/h2-5,17H,6-14,19H2,1H3,(H,20,24).
What are the key properties of 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide?
4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide has a molecular weight of 331.46 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide is sourced from PubChem (CID 143419597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).