6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide

C24H34N4O3 — CID 145193842

IUPAC6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
SMILESNC=O.O=C(CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NO
InChIInChI=1S/C23H31N3O2.CH3NO/c27-22(24-28)14-8-3-9-15-25-16-18-26(19-17-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21;2-1-3/h1-2,4-7,10-13,23,28H,3,8-9,14-19H2,(H,24,27);1H,(H2,2,3)
InChIKeyRJHBYQNDVHVKRE-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.56
Rot. Bonds9

About 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide

6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide (PubChem CID 145193842) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide.

Molecular Properties

Compound Name6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
PubChem CID145193842
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide
SMILESNC=O.O=C(CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NO
InChIInChI=1S/C23H31N3O2.CH3NO/c27-22(24-28)14-8-3-9-15-25-16-18-26(19-17-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21;2-1-3/h1-2,4-7,10-13,23,28H,3,8-9,14-19H2,(H,24,27);1H,(H2,2,3)
InChIKeyRJHBYQNDVHVKRE-UHFFFAOYSA-N
XLogP2.56
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide 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

N-[3-(4-benzhydrylpiperazin-1-yl)propyl]hydroxylamine
CID 22397650
1-benzhydryl-4-octylpiperazine
CID 12006583
10-(4-benzhydrylpiperazin-1-yl)decane-1-sulfonic acid
CID 19700573
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
5-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxypentanamide
CID 54583138
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
bis[(2R)-3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl] decanedioate
CID 99687826
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-phenylurea
CID 110173228
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine;oxalic acid
CID 71411854
2-(4-benzhydrylpiperazin-1-yl)ethyl acetate
CID 57189910
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide?
The IUPAC name of 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide (CID 145193842) is 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide.
What is the SMILES notation for 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide?
The canonical SMILES for 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide is NC=O.O=C(CCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NO.
What is the InChIKey of 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide?
The InChIKey is RJHBYQNDVHVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.CH3NO/c27-22(24-28)14-8-3-9-15-25-16-18-26(19-17-25)23(20-10-4-1-5-11-20)21-12-6-2-7-13-21;2-1-3/h1-2,4-7,10-13,23,28H,3,8-9,14-19H2,(H,24,27);1H,(H2,2,3).
What are the key properties of 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide?
6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide has a molecular weight of 426.56 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzhydrylpiperazin-1-yl)-N-hydroxyhexanamide;formamide is sourced from PubChem (CID 145193842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).