N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C16H23BrN2O — CID 773010

IUPACN-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(C)CC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-14-3-4-15(17)13(2)11-14/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyHJGASNMDSFLJJP-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.82
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 773010) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID773010
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(C)CC2)ccc1Br
InChIInChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-14-3-4-15(17)13(2)11-14/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)
InChIKeyHJGASNMDSFLJJP-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 24747079
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902209
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
ethyl 1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate chloride
CID 53351778
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
3-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 109014565

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 773010) is N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is Cc1cc(NC(=O)CCN2CCC(C)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is HJGASNMDSFLJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12-5-8-19(9-6-12)10-7-16(20)18-14-3-4-15(17)13(2)11-14/h3-4,11-12H,5-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 339.28 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 773010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).