N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

C24H25N3O3 — CID 95719193

IUPACN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C24H25N3O3/c28-23(26-16-21-7-4-14-30-21)15-22-24(29)25-12-13-27(22)17-18-8-10-20(11-9-18)19-5-2-1-3-6-19/h1-11,14,22H,12-13,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeyNJWFRQQWOTVIRR-QFIPXVFZSA-N
MW403.48 g/mol
LogP2.95
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide

N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 95719193) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID95719193
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1
InChIInChI=1S/C24H25N3O3/c28-23(26-16-21-7-4-14-30-21)15-22-24(29)25-12-13-27(22)17-18-8-10-20(11-9-18)19-5-2-1-3-6-19/h1-11,14,22H,12-13,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1
InChIKeyNJWFRQQWOTVIRR-QFIPXVFZSA-N
XLogP2.95
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-2-[(2S)-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

2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95708264
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148
2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 95718709
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 29026246
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (CID 95719193) is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is O=C(C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is NJWFRQQWOTVIRR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-23(26-16-21-7-4-14-30-21)15-22-24(29)25-12-13-27(22)17-18-8-10-20(11-9-18)19-5-2-1-3-6-19/h1-11,14,22H,12-13,15-17H2,(H,25,29)(H,26,28)/t22-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 95719193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).