2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide

C15H23N3O — CID 65448844

IUPAC2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC1CN(CC(=O)NC(C)c2ccccc2)CCN1
InChIInChI=1S/C15H23N3O/c1-12-10-18(9-8-16-12)11-15(19)17-13(2)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyBVKUFWNWNUXHFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.16
Rot. Bonds4

About 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide

2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 65448844) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID65448844
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC1CN(CC(=O)NC(C)c2ccccc2)CCN1
InChIInChI=1S/C15H23N3O/c1-12-10-18(9-8-16-12)11-15(19)17-13(2)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19)
InChIKeyBVKUFWNWNUXHFJ-UHFFFAOYSA-N
XLogP1.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
N-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]benzamide
CID 104975759
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
2-[(3R)-3-methylpiperazin-1-yl]-N-pentan-2-ylacetamide
CID 104975433
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
2-(3-methylpiperazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 65449797
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide (CID 65448844) is 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide is CC1CN(CC(=O)NC(C)c2ccccc2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is BVKUFWNWNUXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-10-18(9-8-16-12)11-15(19)17-13(2)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide?
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 65448844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).