N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C18H25BrN2O2 — CID 113132690

IUPACN-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)c1ccc(C)cc1Br
InChIInChI=1S/C18H25BrN2O2/c1-13-6-9-20(10-7-13)18(23)8-11-21(15(3)22)17-5-4-14(2)12-16(17)19/h4-5,12-13H,6-11H2,1-3H3
InChIKeySMMGDOGSCJYHMF-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.76
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113132690) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113132690
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)c1ccc(C)cc1Br
InChIInChI=1S/C18H25BrN2O2/c1-13-6-9-20(10-7-13)18(23)8-11-21(15(3)22)17-5-4-14(2)12-16(17)19/h4-5,12-13H,6-11H2,1-3H3
InChIKeySMMGDOGSCJYHMF-UHFFFAOYSA-N
XLogP3.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113132690) is N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCC(C)CC1)c1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is SMMGDOGSCJYHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-13-6-9-20(10-7-13)18(23)8-11-21(15(3)22)17-5-4-14(2)12-16(17)19/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 381.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113132690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).