3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide

C16H23BrN2O — CID 106995320

IUPAC3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCC1CC(NC(=O)CC(C)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C16H23BrN2O/c1-11(13-3-5-14(17)6-4-13)9-16(20)19-15-7-8-18-12(2)10-15/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyLDWCAJYJYDNQTP-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.20
Rot. Bonds4

About 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide

3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide (PubChem CID 106995320) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
PubChem CID106995320
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide
SMILESCC1CC(NC(=O)CC(C)c2ccc(Br)cc2)CCN1
InChIInChI=1S/C16H23BrN2O/c1-11(13-3-5-14(17)6-4-13)9-16(20)19-15-7-8-18-12(2)10-15/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyLDWCAJYJYDNQTP-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-(3-methylcyclopentyl)butanamide
CID 114549884
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)butanamide
CID 114550396
4,4,4-trifluoro-N-(2-methylpiperidin-4-yl)-3-phenylbutanamide
CID 120598618
3-methyl-N-(2-methylpiperidin-4-yl)hexanamide
CID 120598747
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995546
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948
2-(4-bromophenyl)sulfanyl-2-methyl-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601915
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide (CID 106995320) is 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide is CC1CC(NC(=O)CC(C)c2ccc(Br)cc2)CCN1.
What is the InChIKey of 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide?
The InChIKey is LDWCAJYJYDNQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-11(13-3-5-14(17)6-4-13)9-16(20)19-15-7-8-18-12(2)10-15/h3-6,11-12,15,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide?
3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide has a molecular weight of 339.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(2-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 106995320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).