N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

C23H29N3O2 — CID 56891155

IUPACN,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)22(27)16-21-23(28)24-14-15-26(21)17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyHOCRAURYVMHLIG-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.91
Rot. Bonds7

About N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 56891155) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID56891155
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESCCN(CC)C(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)22(27)16-21-23(28)24-14-15-26(21)17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKeyHOCRAURYVMHLIG-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide 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-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246
N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
CID 42195762
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
CID 42392537
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45231630
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (CID 56891155) is N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is CCN(CC)C(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is HOCRAURYVMHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(4-2)22(27)16-21-23(28)24-14-15-26(21)17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,28).
What are the key properties of N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 56891155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).