N-(1-phenylethyl)-2-piperazin-1-ylacetamide

C14H21N3O — CID 23080516

IUPACN-(1-phenylethyl)-2-piperazin-1-ylacetamide
SMILESCC(NC(=O)CN1CCNCC1)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h2-6,12,15H,7-11H2,1H3,(H,16,18)
InChIKeyVEJANIYHAAMEQQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.77
Rot. Bonds4

About N-(1-phenylethyl)-2-piperazin-1-ylacetamide

N-(1-phenylethyl)-2-piperazin-1-ylacetamide (PubChem CID 23080516) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-piperazin-1-ylacetamide
PubChem CID23080516
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(1-phenylethyl)-2-piperazin-1-ylacetamide
SMILESCC(NC(=O)CN1CCNCC1)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h2-6,12,15H,7-11H2,1H3,(H,16,18)
InChIKeyVEJANIYHAAMEQQ-UHFFFAOYSA-N
XLogP0.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylethyl)-2-piperazin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81359839
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(1,4-diazepan-1-yl)-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 81404554
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-piperazin-1-ylacetamide (CID 23080516) is N-(1-phenylethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-piperazin-1-ylacetamide is CC(NC(=O)CN1CCNCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-piperazin-1-ylacetamide?
The InChIKey is VEJANIYHAAMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(13-5-3-2-4-6-13)16-14(18)11-17-9-7-15-8-10-17/h2-6,12,15H,7-11H2,1H3,(H,16,18).
What are the key properties of N-(1-phenylethyl)-2-piperazin-1-ylacetamide?
N-(1-phenylethyl)-2-piperazin-1-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 23080516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).