N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide

C29H33N3O3 — CID 46524153

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C29H33N3O3/c33-29(24-8-4-9-27(20-24)35-22-28-10-5-19-34-28)30-25-11-13-26(14-12-25)32-17-15-31(16-18-32)21-23-6-2-1-3-7-23/h1-4,6-9,11-14,20,28H,5,10,15-19,21-22H2,(H,30,33)
InChIKeyHDSJHNZNVSFSBF-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.82
Rot. Bonds8

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 46524153) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID46524153
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C29H33N3O3/c33-29(24-8-4-9-27(20-24)35-22-28-10-5-19-34-28)30-25-11-13-26(14-12-25)32-17-15-31(16-18-32)21-23-6-2-1-3-7-23/h1-4,6-9,11-14,20,28H,5,10,15-19,21-22H2,(H,30,33)
InChIKeyHDSJHNZNVSFSBF-UHFFFAOYSA-N
XLogP4.82
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide 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-(oxolan-2-ylmethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560650
3-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]benzoic acid
CID 129465786
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-(3,5-dichlorophenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 33498591
2-methyl-2-[4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]propanoic acid
CID 119254234
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 46524153) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is HDSJHNZNVSFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c33-29(24-8-4-9-27(20-24)35-22-28-10-5-19-34-28)30-25-11-13-26(14-12-25)32-17-15-31(16-18-32)21-23-6-2-1-3-7-23/h1-4,6-9,11-14,20,28H,5,10,15-19,21-22H2,(H,30,33).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 471.60 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 46524153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).