(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C21H33N3O2 — CID 51956555

IUPAC(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)14-18(16-10-7-6-8-11-16)22-19(25)17-12-9-13-24(15-17)20(26)23(4)5/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyZTKLPCHKPIPRFI-MSOLQXFVSA-N
MW359.51 g/mol
LogP3.67
Rot. Bonds4

About (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 51956555) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID51956555
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C1
InChIInChI=1S/C21H33N3O2/c1-21(2,3)14-18(16-10-7-6-8-11-16)22-19(25)17-12-9-13-24(15-17)20(26)23(4)5/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,22,25)/t17-,18+/m1/s1
InChIKeyZTKLPCHKPIPRFI-MSOLQXFVSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-[(1R)-2-hydroxy-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 103944669
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75469157
4-[(1-butanoylpiperidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 119201418
(2R)-2-[[(3S)-1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 97324277
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430
3-N-butan-2-yl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756324
propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
CID 47043068
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 43630634
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 51956555) is (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)C1.
What is the InChIKey of (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is ZTKLPCHKPIPRFI-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-21(2,3)14-18(16-10-7-6-8-11-16)22-19(25)17-12-9-13-24(15-17)20(26)23(4)5/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,22,25)/t17-,18+/m1/s1.
What are the key properties of (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(1S)-3,3-dimethyl-1-phenylbutyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51956555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).