[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H27N3O4 — CID 8600791

IUPAC[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCN(C)C(=O)[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O4/c1-25(2)21(27)20(17-9-5-3-6-10-17)30-22(28)18-13-15-26(16-14-18)23(29)24-19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3,(H,24,29)/t20-/m1/s1
InChIKeyVWGZIMCPSSLVLJ-HXUWFJFHSA-N
MW409.49 g/mol
LogP3.30
Rot. Bonds5

About [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 8600791) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID8600791
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCN(C)C(=O)[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O4/c1-25(2)21(27)20(17-9-5-3-6-10-17)30-22(28)18-13-15-26(16-14-18)23(29)24-19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3,(H,24,29)/t20-/m1/s1
InChIKeyVWGZIMCPSSLVLJ-HXUWFJFHSA-N
XLogP3.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836607
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836630
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42902325
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836674
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899067
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 39907801
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836618
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 8600791) is [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is CN(C)C(=O)[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is VWGZIMCPSSLVLJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-25(2)21(27)20(17-9-5-3-6-10-17)30-22(28)18-13-15-26(16-14-18)23(29)24-19-11-7-4-8-12-19/h3-12,18,20H,13-16H2,1-2H3,(H,24,29)/t20-/m1/s1.
What are the key properties of [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 8600791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).