N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

C15H19BrN2O2 — CID 108942837

IUPACN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-11-5-7-18(8-6-11)15(20)10-14(19)17-13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)
InChIKeyQMZCAIRLGNCGTN-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.04
Rot. Bonds3

About N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide

N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (PubChem CID 108942837) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
PubChem CID108942837
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
SMILESCC1CCN(C(=O)CC(=O)Nc2cccc(Br)c2)CC1
InChIInChI=1S/C15H19BrN2O2/c1-11-5-7-18(8-6-11)15(20)10-14(19)17-13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,17,19)
InChIKeyQMZCAIRLGNCGTN-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942818
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54840399
N-(3-bromophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950076
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942842
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
N-(3-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110862884
2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637432
N-(3-acetylphenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942443
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide (CID 108942837) is N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is CC1CCN(C(=O)CC(=O)Nc2cccc(Br)c2)CC1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
The InChIKey is QMZCAIRLGNCGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-11-5-7-18(8-6-11)15(20)10-14(19)17-13-4-2-3-12(16)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,17,19).
What are the key properties of N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide?
N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide has a molecular weight of 339.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108942837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).