N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

C15H23N3O — CID 104976875

IUPACN-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-3-13-4-6-14(7-5-13)17-15(19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFVEPLMIULNYAOY-LBPRGKRZSA-N
MW261.37 g/mol
LogP1.48
Rot. Bonds4

About N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide

N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (PubChem CID 104976875) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
PubChem CID104976875
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)CN2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-3-13-4-6-14(7-5-13)17-15(19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19)/t12-/m0/s1
InChIKeyFVEPLMIULNYAOY-LBPRGKRZSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-[4-(cyanomethyl)phenyl]-2-(3-methylpiperazin-1-yl)acetamide
CID 65449601
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65449046
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-[(3R)-3-methylpiperazin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 104975748
N-[(4-methylphenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924667
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide (CID 104976875) is N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is CCc1ccc(NC(=O)CN2CCN[C@@H](C)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is FVEPLMIULNYAOY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-13-4-6-14(7-5-13)17-15(19)11-18-9-8-16-12(2)10-18/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 104976875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).