ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate

C17H24N2O3 — CID 51664598

IUPACethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-3-13-7-5-9-15(11-13)18-17(21)19-10-6-8-14(12-19)16(20)22-4-2/h5,7,9,11,14H,3-4,6,8,10,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOGGQAUICQKCLAI-AWEZNQCLSA-N
MW304.39 g/mol
LogP3.06
Rot. Bonds4

About ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate

ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate (PubChem CID 51664598) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
PubChem CID51664598
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1
InChIInChI=1S/C17H24N2O3/c1-3-13-7-5-9-15(11-13)18-17(21)19-10-6-8-14(12-19)16(20)22-4-2/h5,7,9,11,14H,3-4,6,8,10,12H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyOGGQAUICQKCLAI-AWEZNQCLSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
methyl (3S)-1-[[2-(3-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylate
CID 129470928
ethyl 1-[N-ethyl-N'-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110995161
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
ethyl (3S)-1-[(3-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 7943280
ethyl 1-[(3-fluoro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3860710
1-[(3-ethoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122076129
ethyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-3-carboxylate
CID 47005233
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269
ethyl 1-[(4-propan-2-ylphenyl)carbamoyl]piperidine-3-carboxylate
CID 42695560
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate (CID 51664598) is ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1.
What is the InChIKey of ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is OGGQAUICQKCLAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13-7-5-9-15(11-13)18-17(21)19-10-6-8-14(12-19)16(20)22-4-2/h5,7,9,11,14H,3-4,6,8,10,12H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51664598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).