N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide

C19H28N2O2 — CID 113169650

IUPACN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC(C)C1)c1ccccc1C(C)C
InChIInChI=1S/C19H28N2O2/c1-14(2)17-9-5-6-10-18(17)21(16(4)22)13-19(23)20-11-7-8-15(3)12-20/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3
InChIKeyZKWSBENOELZMQW-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide

N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113169650) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113169650
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC(C)C1)c1ccccc1C(C)C
InChIInChI=1S/C19H28N2O2/c1-14(2)17-9-5-6-10-18(17)21(16(4)22)13-19(23)20-11-7-8-15(3)12-20/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3
InChIKeyZKWSBENOELZMQW-UHFFFAOYSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
N-(4-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169288
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113177407
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376
N-(4-bromo-3-methylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113178178
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide (CID 113169650) is N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)N1CCCC(C)C1)c1ccccc1C(C)C.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is ZKWSBENOELZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)17-9-5-6-10-18(17)21(16(4)22)13-19(23)20-11-7-8-15(3)12-20/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3.
What are the key properties of N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide?
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113169650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).