N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C22H29N3O — CID 18125323

IUPACN-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-19(21-10-6-3-7-11-21)23-22(26)18-25-16-14-24(15-17-25)13-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26)
InChIKeyLTOYDNLQIGHGFE-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.72
Rot. Bonds7

About N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 18125323) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID18125323
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCC(NC(=O)CN1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-19(21-10-6-3-7-11-21)23-22(26)18-25-16-14-24(15-17-25)13-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26)
InChIKeyLTOYDNLQIGHGFE-UHFFFAOYSA-N
XLogP2.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
N-(2-methylpropylcarbamoyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943993
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22194707

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 18125323) is N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is CC(NC(=O)CN1CCN(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is LTOYDNLQIGHGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-19(21-10-6-3-7-11-21)23-22(26)18-25-16-14-24(15-17-25)13-12-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3,(H,23,26).
What are the key properties of N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18125323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).