N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide

C23H29N3O2 — CID 9105903

IUPACN-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(Cc2cccc(C)c2)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-7-6-8-20(15-18)17-25-11-13-26(14-12-25)23(28)16-22(24-19(2)27)21-9-4-3-5-10-21/h3-10,15,22H,11-14,16-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyUDYWNPGTTHLIIO-JOCHJYFZSA-N
MW379.50 g/mol
LogP2.91
Rot. Bonds6

About N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide

N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 9105903) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID9105903
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCN(Cc2cccc(C)c2)CC1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18-7-6-8-20(15-18)17-25-11-13-26(14-12-25)23(28)16-22(24-19(2)27)21-9-4-3-5-10-21/h3-10,15,22H,11-14,16-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyUDYWNPGTTHLIIO-JOCHJYFZSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105902
3-amino-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119952742
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23885384
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propane-1,2-dione
CID 19325349
2-(4-benzoylpiperazin-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677865
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
N-[1-(4-chlorophenyl)-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 47008551

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide (CID 9105903) is N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCN(Cc2cccc(C)c2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is UDYWNPGTTHLIIO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-7-6-8-20(15-18)17-25-11-13-26(14-12-25)23(28)16-22(24-19(2)27)21-9-4-3-5-10-21/h3-10,15,22H,11-14,16-17H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 9105903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).