N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

C20H29N3O3 — CID 113131127

IUPACN-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H29N3O3/c1-4-18-7-5-6-13-23(18)20(26)12-14-22(16(3)25)19-10-8-17(9-11-19)21-15(2)24/h8-11,18H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyXSLNMXYATIWPHW-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.18
Rot. Bonds6

About N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide

N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (PubChem CID 113131127) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
PubChem CID113131127
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H29N3O3/c1-4-18-7-5-6-13-23(18)20(26)12-14-22(16(3)25)19-10-8-17(9-11-19)21-15(2)24/h8-11,18H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyXSLNMXYATIWPHW-UHFFFAOYSA-N
XLogP3.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
N-[4-[acetyl-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131128
N-(4-ethoxyphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173923
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide (CID 113131127) is N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is CCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
The InChIKey is XSLNMXYATIWPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-18-7-5-6-13-23(18)20(26)12-14-22(16(3)25)19-10-8-17(9-11-19)21-15(2)24/h8-11,18H,4-7,12-14H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide?
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide has a molecular weight of 359.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide is sourced from PubChem (CID 113131127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).