2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate

C17H24N2O3 — CID 68757198

IUPAC2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-17(21)19-10-6-7-14(11-19)16(20)18-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyYIFFFAHRAVGPPT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.13
Rot. Bonds4

About 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate

2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate (PubChem CID 68757198) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
PubChem CID68757198
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-13(2)12-22-17(21)19-10-6-7-14(11-19)16(20)18-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyYIFFFAHRAVGPPT-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
1-[3-ethoxy-4-(2-methylpropoxy)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637985
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate (CID 68757198) is 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate is CC(C)COC(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is YIFFFAHRAVGPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(2)12-22-17(21)19-10-6-7-14(11-19)16(20)18-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate?
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 68757198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).