4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide

C24H31N3O3 — CID 60577763

IUPAC4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c28-24(27-15-13-26(14-16-27)18-20-8-2-1-3-9-20)25-22-11-4-5-12-23(22)30-19-21-10-6-7-17-29-21/h1-5,8-9,11-12,21H,6-7,10,13-19H2,(H,25,28)
InChIKeyVOXHQHDQOFXWAC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.98
Rot. Bonds6

About 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide

4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 60577763) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
PubChem CID60577763
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1OCC1CCCCO1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H31N3O3/c28-24(27-15-13-26(14-16-27)18-20-8-2-1-3-9-20)25-22-11-4-5-12-23(22)30-19-21-10-6-7-17-29-21/h1-5,8-9,11-12,21H,6-7,10,13-19H2,(H,25,28)
InChIKeyVOXHQHDQOFXWAC-UHFFFAOYSA-N
XLogP3.98
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-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

4-(cyclopropylmethyl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368188
4-(2-methylpropyl)-N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]piperazine-1-carboxamide
CID 129368185
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 125163740
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]pyrrolidine-1-carboxamide
CID 95616338
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
N-benzyl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829468
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide (CID 60577763) is 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1OCC1CCCCO1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is VOXHQHDQOFXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c28-24(27-15-13-26(14-16-27)18-20-8-2-1-3-9-20)25-22-11-4-5-12-23(22)30-19-21-10-6-7-17-29-21/h1-5,8-9,11-12,21H,6-7,10,13-19H2,(H,25,28).
What are the key properties of 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide?
4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(oxan-2-ylmethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).