(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone

C19H22N4O — CID 169383570

IUPAC(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C=NNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O/c1-22-11-13-23(14-12-22)19(24)17-9-7-16(8-10-17)15-20-21-18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3
InChIKeyISEQIMPRLZAKTJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.52
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone (PubChem CID 169383570) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
PubChem CID169383570
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
SMILESCN1CCN(C(=O)c2ccc(C=NNc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O/c1-22-11-13-23(14-12-22)19(24)17-9-7-16(8-10-17)15-20-21-18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3
InChIKeyISEQIMPRLZAKTJ-UHFFFAOYSA-N
XLogP2.52
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]urea
CID 168533454
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
CID 168591843
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
4-[2-[(4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 74856803
1-[4-[(phenylhydrazinylidene)methyl]phenyl]piperidine-4-carboxylic acid
CID 169383937
4-[(E)-(phenylhydrazinylidene)methyl]benzenecarbothioamide
CID 54604425
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone (CID 169383570) is (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone is CN1CCN(C(=O)c2ccc(C=NNc3ccccc3)cc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone?
The InChIKey is ISEQIMPRLZAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-11-13-23(14-12-22)19(24)17-9-7-16(8-10-17)15-20-21-18-5-3-2-4-6-18/h2-10,15,21H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone has a molecular weight of 322.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone is sourced from PubChem (CID 169383570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).