N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide

C21H32FN3O2 — CID 110354080

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CC(c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C21H32FN3O2/c1-4-24-11-13-25(14-12-24)21(27)9-10-23-20(26)15-19(16(2)3)17-5-7-18(22)8-6-17/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,26)
InChIKeyZINQNKLSJDBROR-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide (PubChem CID 110354080) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
PubChem CID110354080
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CC(c2ccc(F)cc2)C(C)C)CC1
InChIInChI=1S/C21H32FN3O2/c1-4-24-11-13-25(14-12-24)21(27)9-10-23-20(26)15-19(16(2)3)17-5-7-18(22)8-6-17/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,26)
InChIKeyZINQNKLSJDBROR-UHFFFAOYSA-N
XLogP2.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
CID 110354079
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
2-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-fluorobenzamide
CID 51118033
4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
CID 110306300
N-ethyl-4-[4-(4-fluorophenyl)-5-methylhexyl]piperazine-1-carboxamide
CID 70381560
3-(4-fluorophenyl)-N-(4-methoxybutyl)-4-methylpentanamide
CID 110610148
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-phenoxypropanamide
CID 110287178

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide (CID 110354080) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide is CCN1CCN(C(=O)CCNC(=O)CC(c2ccc(F)cc2)C(C)C)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide?
The InChIKey is ZINQNKLSJDBROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-4-24-11-13-25(14-12-24)21(27)9-10-23-20(26)15-19(16(2)3)17-5-7-18(22)8-6-17/h5-8,16,19H,4,9-15H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide has a molecular weight of 377.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 110354080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).