5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide

C19H29N3O2 — CID 120740657

IUPAC5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCCC(=O)N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-4-15-8-10-16(11-9-15)17-14-20-12-13-22(17)19(24)7-5-6-18(23)21(2)3/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyZXVXKDRZEXAKEX-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.98
Rot. Bonds6

About 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide

5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide (PubChem CID 120740657) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
PubChem CID120740657
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCCC(=O)N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-4-15-8-10-16(11-9-15)17-14-20-12-13-22(17)19(24)7-5-6-18(23)21(2)3/h8-11,17,20H,4-7,12-14H2,1-3H3
InChIKeyZXVXKDRZEXAKEX-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 120741509
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The IUPAC name of 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide (CID 120740657) is 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide.
What is the SMILES notation for 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The canonical SMILES for 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide is CCc1ccc(C2CNCCN2C(=O)CCCC(=O)N(C)C)cc1.
What is the InChIKey of 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide?
The InChIKey is ZXVXKDRZEXAKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-15-8-10-16(11-9-15)17-14-20-12-13-22(17)19(24)7-5-6-18(23)21(2)3/h8-11,17,20H,4-7,12-14H2,1-3H3.
What are the key properties of 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide?
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide has a molecular weight of 331.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide is sourced from PubChem (CID 120740657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).