(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H21ClN4O — CID 114540969

IUPAC(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2NN)CC(C)N1C
InChIInChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)3)14(20)12-6-11(15)4-5-13(12)17-16/h4-6,9-10,17H,7-8,16H2,1-3H3
InChIKeyPEYLCSURWHKFQI-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.79
Rot. Bonds2

About (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 114540969) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID114540969
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)ccc2NN)CC(C)N1C
InChIInChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)3)14(20)12-6-11(15)4-5-13(12)17-16/h4-6,9-10,17H,7-8,16H2,1-3H3
InChIKeyPEYLCSURWHKFQI-UHFFFAOYSA-N
XLogP1.79
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(2,4-dichlorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662344
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(5-chloro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967669
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
(5-chloro-2-hydrazinylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113418780
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
CID 69229535
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
(5-chloro-2-hydrazinylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977702
(5-chloro-2-hydrazinylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82685064

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 114540969) is (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(Cl)ccc2NN)CC(C)N1C.
What is the InChIKey of (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is PEYLCSURWHKFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9-7-19(8-10(2)18(9)3)14(20)12-6-11(15)4-5-13(12)17-16/h4-6,9-10,17H,7-8,16H2,1-3H3.
What are the key properties of (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114540969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).