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

C20H33N3O — CID 52553124

IUPAC2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-3-11-23(12-4-2)20(24)18-22-16-14-21(15-17-22)13-10-19-8-6-5-7-9-19/h5-9H,3-4,10-18H2,1-2H3
InChIKeyDGKPPGCXDZCYAP-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.50
Rot. Bonds9

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

2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide (PubChem CID 52553124) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
PubChem CID52553124
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H33N3O/c1-3-11-23(12-4-2)20(24)18-22-16-14-21(15-17-22)13-10-19-8-6-5-7-9-19/h5-9H,3-4,10-18H2,1-2H3
InChIKeyDGKPPGCXDZCYAP-UHFFFAOYSA-N
XLogP2.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
ethyl 4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]benzoate
CID 11989461
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
CID 126539567
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide (CID 52553124) is 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide?
The InChIKey is DGKPPGCXDZCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-3-11-23(12-4-2)20(24)18-22-16-14-21(15-17-22)13-10-19-8-6-5-7-9-19/h5-9H,3-4,10-18H2,1-2H3.
What are the key properties of 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide?
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide has a molecular weight of 331.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 52553124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).