N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide

C16H23N3O2 — CID 78773774

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(20)17-15(14-6-4-3-5-7-14)12-16(21)19-10-8-18(2)9-11-19/h3-7,15H,8-12H2,1-2H3,(H,17,20)
InChIKeyXQLPWRDDOOTANR-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.03
Rot. Bonds4

About N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide

N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide (PubChem CID 78773774) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
PubChem CID78773774
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-13(20)17-15(14-6-4-3-5-7-14)12-16(21)19-10-8-18(2)9-11-19/h3-7,15H,8-12H2,1-2H3,(H,17,20)
InChIKeyXQLPWRDDOOTANR-UHFFFAOYSA-N
XLogP1.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
N-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 86933017
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251493
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091
N-[(1R)-3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 41154962
N-[(1R)-3-oxo-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propyl]acetamide
CID 8924431
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
N-[3-oxo-1-phenyl-3-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propyl]acetamide
CID 86989923
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[(1R)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 9105903
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119411136

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide (CID 78773774) is N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is XQLPWRDDOOTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)17-15(14-6-4-3-5-7-14)12-16(21)19-10-8-18(2)9-11-19/h3-7,15H,8-12H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide?
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 78773774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).