4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C22H32BrN3O2 — CID 60621741

IUPAC4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1
InChIInChI=1S/C22H32BrN3O2/c1-25(2)21(28)26-14-10-18(11-15-26)20(27)24-22(12-4-3-5-13-22)16-17-6-8-19(23)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3,(H,24,27)
InChIKeyVYGZPMVSYPUTKY-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.20
Rot. Bonds4

About 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 60621741) has the molecular formula C22H32BrN3O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID60621741
Molecular FormulaC22H32BrN3O2
Molecular Weight450.42 g/mol
Exact Mass449.17
IUPAC Name4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1
InChIInChI=1S/C22H32BrN3O2/c1-25(2)21(28)26-14-10-18(11-15-26)20(27)24-22(12-4-3-5-13-22)16-17-6-8-19(23)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3,(H,24,27)
InChIKeyVYGZPMVSYPUTKY-UHFFFAOYSA-N
XLogP4.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 60621741) is 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NC2(Cc3ccc(Br)cc3)CCCCC2)CC1.
What is the InChIKey of 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is VYGZPMVSYPUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BrN3O2/c1-25(2)21(28)26-14-10-18(11-15-26)20(27)24-22(12-4-3-5-13-22)16-17-6-8-19(23)9-7-17/h6-9,18H,3-5,10-16H2,1-2H3,(H,24,27).
What are the key properties of 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 450.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(4-bromophenyl)methyl]cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 60621741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).