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

C15H20BrN3O2 — CID 9305089

IUPAC(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1Br
InChIInChI=1S/C15H20BrN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m0/s1
InChIKeySORWLNBFZLUFJR-NSHDSACASA-N
MW354.25 g/mol
LogP1.89
Rot. Bonds4

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

(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 9305089) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID9305089
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1Br
InChIInChI=1S/C15H20BrN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m0/s1
InChIKeySORWLNBFZLUFJR-NSHDSACASA-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

(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
(3R)-1-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304559
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
N-(4-bromo-3-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901793
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899342
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
(3R)-1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 9304613
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 9305089) is (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)CN2CCC[C@H](C(N)=O)C2)cc1Br.
What is the InChIKey of (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is SORWLNBFZLUFJR-NSHDSACASA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10-4-5-12(7-13(10)16)18-14(20)9-19-6-2-3-11(8-19)15(17)21/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,17,21)(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-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 (3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).