1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

C16H23N3O2 — CID 110086145

IUPAC1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(C)=O
InChIInChI=1S/C16H23N3O2/c1-13(20)19-11-10-18(12-15(19)16(21)17-2)9-8-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,17,21)
InChIKeyWXIOWPLPDGOONX-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds4

About 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide

1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 110086145) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID110086145
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(C)=O
InChIInChI=1S/C16H23N3O2/c1-13(20)19-11-10-18(12-15(19)16(21)17-2)9-8-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,17,21)
InChIKeyWXIOWPLPDGOONX-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
1-N-ethyl-4-[2-(1H-indol-3-yl)ethyl]-2-N-methylpiperazine-1,2-dicarboxamide
CID 24733059

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide (CID 110086145) is 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)C1CN(CCc2ccccc2)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is WXIOWPLPDGOONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)19-11-10-18(12-15(19)16(21)17-2)9-8-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3,(H,17,21).
What are the key properties of 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide?
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).