1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

C16H22BrN3O2 — CID 8530726

IUPAC1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)15(21)11-20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22)
InChIKeyYFAWBQYSQHOKRL-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8530726) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8530726
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)15(21)11-20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22)
InChIKeyYFAWBQYSQHOKRL-UHFFFAOYSA-N
XLogP1.60
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963656
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 120728275
1-[2-[(2-bromophenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 78787606
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 78787338
1-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530730
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759157
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
1-[2-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 70756872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 8530726) is 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is CN(Cc1ccccc1Br)C(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YFAWBQYSQHOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-19(10-13-4-2-3-5-14(13)17)15(21)11-20-8-6-12(7-9-20)16(18)22/h2-5,12H,6-11H2,1H3,(H2,18,22).
What are the key properties of 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8530726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).