N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide

C21H25N3O2 — CID 41418625

IUPACN-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-17(25)22-20-9-7-19(8-10-20)21(26)24-15-13-23(14-16-24)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyBKUPOBDBVAAEHN-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.65
Rot. Bonds5

About N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide

N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide (PubChem CID 41418625) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
PubChem CID41418625
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-17(25)22-20-9-7-19(8-10-20)21(26)24-15-13-23(14-16-24)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25)
InChIKeyBKUPOBDBVAAEHN-UHFFFAOYSA-N
XLogP2.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762
N-[4-[2-[4-(3-chlorobenzoyl)piperazin-1-yl]ethyl]phenyl]acetamide
CID 110359222
N-tert-butyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzamide
CID 48851794
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 110602623
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pentanamide
CID 67912324
N-[4-[4-[2-(4-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]-2-methylsulfinylacetamide
CID 19099498
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide (CID 41418625) is N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is BKUPOBDBVAAEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-17(25)22-20-9-7-19(8-10-20)21(26)24-15-13-23(14-16-24)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide?
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 41418625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).