4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide

C21H24BrN3O2 — CID 52998894

IUPAC4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-21(19(26)23-15-16-5-3-2-4-6-16)11-13-25(14-12-21)20(27)24-18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyTZOZHPASTTWRGY-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.40
Rot. Bonds4

About 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide

4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide (PubChem CID 52998894) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
PubChem CID52998894
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-21(19(26)23-15-16-5-3-2-4-6-16)11-13-25(14-12-21)20(27)24-18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyTZOZHPASTTWRGY-UHFFFAOYSA-N
XLogP4.40
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
4-N-benzyl-1-N-(2-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998895
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
1-N-(4-bromo-3-methylphenyl)-4-N-[(3-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070873
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide (CID 52998894) is 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide is CC1(C(=O)NCc2ccccc2)CCN(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide?
The InChIKey is TZOZHPASTTWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-21(19(26)23-15-16-5-3-2-4-6-16)11-13-25(14-12-21)20(27)24-18-9-7-17(22)8-10-18/h2-10H,11-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide?
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide has a molecular weight of 430.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 52998894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).