N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide

C22H35N3O2 — CID 110354079

IUPACN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CC(c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-5-24-12-14-25(15-13-24)22(27)10-11-23-21(26)16-20(17(2)3)19-8-6-18(4)7-9-19/h6-9,17,20H,5,10-16H2,1-4H3,(H,23,26)
InChIKeyJSDDKQIBDFMDRH-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.80
Rot. Bonds8

About N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide (PubChem CID 110354079) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
PubChem CID110354079
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
SMILESCCN1CCN(C(=O)CCNC(=O)CC(c2ccc(C)cc2)C(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-5-24-12-14-25(15-13-24)22(27)10-11-23-21(26)16-20(17(2)3)19-8-6-18(4)7-9-19/h6-9,17,20H,5,10-16H2,1-4H3,(H,23,26)
InChIKeyJSDDKQIBDFMDRH-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4-methylpentanamide
CID 110354080
4-(3,4-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110626293
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methylbenzamide
CID 17191483
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 110306291
3-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-methylpropanamide
CID 110306300
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
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(4-methylphenyl)propanamide
CID 110306324
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110355247

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide (CID 110354079) is N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide is CCN1CCN(C(=O)CCNC(=O)CC(c2ccc(C)cc2)C(C)C)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide?
The InChIKey is JSDDKQIBDFMDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-24-12-14-25(15-13-24)22(27)10-11-23-21(26)16-20(17(2)3)19-8-6-18(4)7-9-19/h6-9,17,20H,5,10-16H2,1-4H3,(H,23,26).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide?
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide has a molecular weight of 373.54 g/mol, XLogP of 2.80, 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]-4-methyl-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 110354079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).