methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate

C16H22N2O3 — CID 59546408

IUPACmethyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
SMILESCCN(C(=O)N1CCCC[C@H]1C(=O)OC)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-17(13-9-5-4-6-10-13)16(20)18-12-8-7-11-14(18)15(19)21-2/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyGGSHIDBVFNGHEC-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.66
Rot. Bonds3

About methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate

methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate (PubChem CID 59546408) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
PubChem CID59546408
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate
SMILESCCN(C(=O)N1CCCC[C@H]1C(=O)OC)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-3-17(13-9-5-4-6-10-13)16(20)18-12-8-7-11-14(18)15(19)21-2/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyGGSHIDBVFNGHEC-AWEZNQCLSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
(2S)-1-[ethyl-(3-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 28510403
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
3-(2-benzylpiperidin-1-yl)-1-ethyl-1-phenylurea
CID 54189123
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl (2S)-1-[benzyl-(1,3-dioxoisoindol-2-yl)carbamoyl]pyrrolidine-2-carboxylate
CID 155279562
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
methyl (2R)-1-[3-(2-methylphenyl)propanoyl]piperidine-2-carboxylate
CID 79835578

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate (CID 59546408) is methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate is CCN(C(=O)N1CCCC[C@H]1C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate?
The InChIKey is GGSHIDBVFNGHEC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-17(13-9-5-4-6-10-13)16(20)18-12-8-7-11-14(18)15(19)21-2/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate?
methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 59546408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).