N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

C23H27N3O3 — CID 42094081

IUPACN-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESC=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-17(2)15-25-22(27)14-21-23(28)24-11-12-26(21)16-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,21H,1,11-12,14-16H2,2H3,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyPJFUWQOZNUGAFG-OAQYLSRUSA-N
MW393.49 g/mol
LogP2.86
Rot. Bonds8

About N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 42094081) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID42094081
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESC=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H27N3O3/c1-17(2)15-25-22(27)14-21-23(28)24-11-12-26(21)16-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,21H,1,11-12,14-16H2,2H3,(H,24,28)(H,25,27)/t21-/m1/s1
InChIKeyPJFUWQOZNUGAFG-OAQYLSRUSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45215120
2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45228056
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
CID 45218015
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45236793

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (CID 42094081) is N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is C=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is PJFUWQOZNUGAFG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(2)15-25-22(27)14-21-23(28)24-11-12-26(21)16-18-7-6-10-20(13-18)29-19-8-4-3-5-9-19/h3-10,13,21H,1,11-12,14-16H2,2H3,(H,24,28)(H,25,27)/t21-/m1/s1.
What are the key properties of N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 42094081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).