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

C19H27BrN2O2 — CID 113128682

IUPACN-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-4-16-7-5-6-11-22(16)19(24)10-12-21(15(3)23)17-9-8-14(2)18(20)13-17/h8-9,13,16H,4-7,10-12H2,1-3H3
InChIKeyCJZLAMQKPMFVBJ-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.29
Rot. Bonds5

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

N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113128682) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113128682
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC NameN-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H27BrN2O2/c1-4-16-7-5-6-11-22(16)19(24)10-12-21(15(3)23)17-9-8-14(2)18(20)13-17/h8-9,13,16H,4-7,10-12H2,1-3H3
InChIKeyCJZLAMQKPMFVBJ-UHFFFAOYSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132644
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
N-[4-[acetyl-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 113131127
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
N-(3,5-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113168511
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-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113128682) is N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is CCC1CCCCN1C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is CJZLAMQKPMFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-4-16-7-5-6-11-22(16)19(24)10-12-21(15(3)23)17-9-8-14(2)18(20)13-17/h8-9,13,16H,4-7,10-12H2,1-3H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113128682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).