1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C15H20BrN3O2 — CID 8530988

IUPAC1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(N)=O)CC2)ccc1Br
InChIInChI=1S/C15H20BrN3O2/c1-10-8-12(2-3-13(10)16)18-14(20)9-19-6-4-11(5-7-19)15(17)21/h2-3,8,11H,4-7,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyADKVRMWZHAUASW-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8530988) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8530988
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)CN2CCC(C(N)=O)CC2)ccc1Br
InChIInChI=1S/C15H20BrN3O2/c1-10-8-12(2-3-13(10)16)18-14(20)9-19-6-4-11(5-7-19)15(17)21/h2-3,8,11H,4-7,9H2,1H3,(H2,17,21)(H,18,20)
InChIKeyADKVRMWZHAUASW-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742206
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119920700
N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55816386
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(4-bromo-3-methylphenyl)acetamide;hydrochloride
CID 119925570
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(4-bromo-3-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690820
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 8530988) is 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1cc(NC(=O)CN2CCC(C(N)=O)CC2)ccc1Br.
What is the InChIKey of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ADKVRMWZHAUASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-8-12(2-3-13(10)16)18-14(20)9-19-6-4-11(5-7-19)15(17)21/h2-3,8,11H,4-7,9H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).