N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide

C20H33N3O2 — CID 112505226

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1
InChIInChI=1S/C20H33N3O2/c1-4-6-7-20(24)21-16-19(17-8-10-18(25-3)11-9-17)23-14-12-22(5-2)13-15-23/h8-11,19H,4-7,12-16H2,1-3H3,(H,21,24)
InChIKeyKYHYGJUGQDFNFK-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.68
Rot. Bonds9

About N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide

N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 112505226) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID112505226
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCCCCC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1
InChIInChI=1S/C20H33N3O2/c1-4-6-7-20(24)21-16-19(17-8-10-18(25-3)11-9-17)23-14-12-22(5-2)13-15-23/h8-11,19H,4-7,12-16H2,1-3H3,(H,21,24)
InChIKeyKYHYGJUGQDFNFK-UHFFFAOYSA-N
XLogP2.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249
1-butan-2-yl-3-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]urea
CID 110622760
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119829533
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-(4-methylphenoxy)acetamide
CID 112504519
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide (CID 112505226) is N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide is CCCCC(=O)NCC(c1ccc(OC)cc1)N1CCN(CC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is KYHYGJUGQDFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-6-7-20(24)21-16-19(17-8-10-18(25-3)11-9-17)23-14-12-22(5-2)13-15-23/h8-11,19H,4-7,12-16H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 347.50 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 112505226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).