4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C19H28BrN3O2 — CID 55778431

IUPAC4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H28BrN3O2/c1-19(2,15-5-7-16(20)8-6-15)13-21-17(24)14-9-11-23(12-10-14)18(25)22(3)4/h5-8,14H,9-13H2,1-4H3,(H,21,24)
InChIKeyYKYQRZWEXPDLMM-UHFFFAOYSA-N
MW410.36 g/mol
LogP3.24
Rot. Bonds4

About 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 55778431) has the molecular formula C19H28BrN3O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID55778431
Molecular FormulaC19H28BrN3O2
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC Name4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C19H28BrN3O2/c1-19(2,15-5-7-16(20)8-6-15)13-21-17(24)14-9-11-23(12-10-14)18(25)22(3)4/h5-8,14H,9-13H2,1-4H3,(H,21,24)
InChIKeyYKYQRZWEXPDLMM-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 55778431) is 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCC(C)(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is YKYQRZWEXPDLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2/c1-19(2,15-5-7-16(20)8-6-15)13-21-17(24)14-9-11-23(12-10-14)18(25)22(3)4/h5-8,14H,9-13H2,1-4H3,(H,21,24).
What are the key properties of 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 410.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-bromophenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55778431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).