4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide

C19H29N3O2 — CID 120740417

IUPAC4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C19H29N3O2/c1-3-11-21-18(23)9-10-19(24)22-13-12-20-14-17(22)16-7-5-15(4-2)6-8-16/h5-8,17,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeySSEWABSXXQOSCI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds7

About 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide

4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide (PubChem CID 120740417) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
PubChem CID120740417
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C19H29N3O2/c1-3-11-21-18(23)9-10-19(24)22-13-12-20-14-17(22)16-7-5-15(4-2)6-8-16/h5-8,17,20H,3-4,9-14H2,1-2H3,(H,21,23)
InChIKeySSEWABSXXQOSCI-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
4-[2-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120802257
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
N-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120741447
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide?
The IUPAC name of 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide (CID 120740417) is 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)N1CCNCC1c1ccc(CC)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide?
The InChIKey is SSEWABSXXQOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-11-21-18(23)9-10-19(24)22-13-12-20-14-17(22)16-7-5-15(4-2)6-8-16/h5-8,17,20H,3-4,9-14H2,1-2H3,(H,21,23).
What are the key properties of 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide?
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide has a molecular weight of 331.46 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide is sourced from PubChem (CID 120740417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).