3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide

C28H30Cl2N4O2 — CID 5112014

IUPAC3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H30Cl2N4O2/c29-24-12-11-21(19-25(24)30)20-27(36)32-31-26(35)13-14-33-15-17-34(18-16-33)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,28H,13-18,20H2,(H,31,35)(H,32,36)
InChIKeyGEZWHLQNVLFKEP-UHFFFAOYSA-N
MW525.48 g/mol
LogP4.48
Rot. Bonds8

About 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide

3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide (PubChem CID 5112014) has the molecular formula C28H30Cl2N4O2 and a molecular weight of 525.48 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
PubChem CID5112014
Molecular FormulaC28H30Cl2N4O2
Molecular Weight525.48 g/mol
Exact Mass524.17
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C28H30Cl2N4O2/c29-24-12-11-21(19-25(24)30)20-27(36)32-31-26(35)13-14-33-15-17-34(18-16-33)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,28H,13-18,20H2,(H,31,35)(H,32,36)
InChIKeyGEZWHLQNVLFKEP-UHFFFAOYSA-N
XLogP4.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzhydrylpiperazin-1-yl)-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]propanehydrazide
CID 6109897
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-(3,4-dichlorophenyl)urea
CID 18871059
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(3,4-dichlorophenyl)acetamide
CID 39302925
3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
CID 10365291
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
[[2-(3,4-dichlorophenyl)acetyl]amino]carbamic acid
CID 146586124
4-[4-[(R)-(2-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoic acid
CID 124564536
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
CID 145193842
3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 3393441
3-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 24588553

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide (CID 5112014) is 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide is O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide?
The InChIKey is GEZWHLQNVLFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O2/c29-24-12-11-21(19-25(24)30)20-27(36)32-31-26(35)13-14-33-15-17-34(18-16-33)28(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,19,28H,13-18,20H2,(H,31,35)(H,32,36).
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide?
3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide has a molecular weight of 525.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-N'-[2-(3,4-dichlorophenyl)acetyl]propanehydrazide is sourced from PubChem (CID 5112014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).