N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C19H28N2O3 — CID 113129381

IUPACN-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCOc1ccc(N(CCC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C19H28N2O3/c1-4-24-18-7-5-17(6-8-18)21(16(3)22)14-11-19(23)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3
InChIKeyNJAAJZZXGBZDPG-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.09
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113129381) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113129381
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCOc1ccc(N(CCC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C19H28N2O3/c1-4-24-18-7-5-17(6-8-18)21(16(3)22)14-11-19(23)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3
InChIKeyNJAAJZZXGBZDPG-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113133110
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129834
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132690
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-[2-(4-methoxyphenoxy)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140759
N-(4-ethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144892
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113129381) is N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CCOc1ccc(N(CCC(=O)N2CCC(C)CC2)C(C)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is NJAAJZZXGBZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-18-7-5-17(6-8-18)21(16(3)22)14-11-19(23)20-12-9-15(2)10-13-20/h5-8,15H,4,9-14H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113129381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).