(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide

C23H29N3O2 — CID 52507274

IUPAC(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C23H29N3O2/c27-23(21-10-15-28-18-21)24-16-19-6-4-5-7-20(19)17-25-11-13-26(14-12-25)22-8-2-1-3-9-22/h1-9,21H,10-18H2,(H,24,27)/t21-/m1/s1
InChIKeyGZXSDGHWXSCELC-OAQYLSRUSA-N
MW379.50 g/mol
LogP2.66
Rot. Bonds6

About (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide

(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide (PubChem CID 52507274) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
PubChem CID52507274
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C23H29N3O2/c27-23(21-10-15-28-18-21)24-16-19-6-4-5-7-20(19)17-25-11-13-26(14-12-25)22-8-2-1-3-9-22/h1-9,21H,10-18H2,(H,24,27)/t21-/m1/s1
InChIKeyGZXSDGHWXSCELC-OAQYLSRUSA-N
XLogP2.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide 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

1-(oxolan-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 104749860
N-[2-(4-phenylpiperazin-1-yl)ethyl]oxane-4-carboxamide
CID 51077897
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 39172108
1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109381635
(3S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 94799862
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
2-methylsulfanyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55691045
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42947168

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide (CID 52507274) is (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1ccccc1CN1CCN(c2ccccc2)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is GZXSDGHWXSCELC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(21-10-15-28-18-21)24-16-19-6-4-5-7-20(19)17-25-11-13-26(14-12-25)22-8-2-1-3-9-22/h1-9,21H,10-18H2,(H,24,27)/t21-/m1/s1.
What are the key properties of (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 52507274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).