(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide

C18H27N3O2 — CID 94161545

IUPAC(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)14-7-9-16(10-8-14)19-17(22)15-6-5-11-21(12-15)18(23)20(3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyXLOFQMMODROCFD-OAHLLOKOSA-N
MW317.43 g/mol
LogP3.14
Rot. Bonds3

About (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide

(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 94161545) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
PubChem CID94161545
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H27N3O2/c1-13(2)14-7-9-16(10-8-14)19-17(22)15-6-5-11-21(12-15)18(23)20(3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyXLOFQMMODROCFD-OAHLLOKOSA-N
XLogP3.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956289
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide (CID 94161545) is (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide is CC(C)c1ccc(NC(=O)[C@@H]2CCCN(C(=O)N(C)C)C2)cc1.
What is the InChIKey of (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is XLOFQMMODROCFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)14-7-9-16(10-8-14)19-17(22)15-6-5-11-21(12-15)18(23)20(3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide?
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94161545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).