N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C23H36N2O2 — CID 113133110

IUPACN-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)23(20)25(19(6)26)15-12-22(27)24-13-10-18(5)11-14-24/h7-9,16-18H,10-15H2,1-6H3
InChIKeySVPKTEAZSSFCHE-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.93
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113133110) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113133110
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C23H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)23(20)25(19(6)26)15-12-22(27)24-13-10-18(5)11-14-24/h7-9,16-18H,10-15H2,1-6H3
InChIKeySVPKTEAZSSFCHE-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113124813
N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132690
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113133110) is N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCC(C)CC1)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is SVPKTEAZSSFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-16(2)20-8-7-9-21(17(3)4)23(20)25(19(6)26)15-12-22(27)24-13-10-18(5)11-14-24/h7-9,16-18H,10-15H2,1-6H3.
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 372.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113133110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).