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

C24H31N3O2 — CID 95708193

IUPACN-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-18(2)12-13-25-23(28)16-22-24(29)26-14-15-27(22)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,12-17H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyWHAVBIBKRDFGJN-JOCHJYFZSA-N
MW393.53 g/mol
LogP3.21
Rot. Bonds8

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

N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 95708193) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID95708193
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
SMILESCC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H31N3O2/c1-18(2)12-13-25-23(28)16-22-24(29)26-14-15-27(22)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,12-17H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1
InChIKeyWHAVBIBKRDFGJN-JOCHJYFZSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
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
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
N-(2-methylpropyl)-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95723548
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(2H-triazol-4-yl)ethyl]acetamide
CID 126434045
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide (CID 95708193) is N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is CC(C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is WHAVBIBKRDFGJN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18(2)12-13-25-23(28)16-22-24(29)26-14-15-27(22)17-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,18,22H,12-17H2,1-2H3,(H,25,28)(H,26,29)/t22-/m1/s1.
What are the key properties of N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide?
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 95708193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).