[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate

C22H27N3O4 — CID 59862428

IUPAC[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate
SMILESO=C(NCCO)c1cncc(OC(=O)N2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O4/c26-12-10-24-21(27)19-13-20(15-23-14-19)29-22(28)25-11-4-7-18(16-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-15,18,26H,4,7-12,16H2,(H,24,27)
InChIKeyHODCEBBYHBZKOF-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.65
Rot. Bonds7

About [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate

[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate (PubChem CID 59862428) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate
PubChem CID59862428
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate
SMILESO=C(NCCO)c1cncc(OC(=O)N2CCCC(CCc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O4/c26-12-10-24-21(27)19-13-20(15-23-14-19)29-22(28)25-11-4-7-18(16-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-15,18,26H,4,7-12,16H2,(H,24,27)
InChIKeyHODCEBBYHBZKOF-UHFFFAOYSA-N
XLogP2.65
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate with MolForge

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Related Compounds

5-[4-(2-phenylethyl)azepane-1-carbonyl]oxypyridine-3-carboxylic acid
CID 59143945
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
methyl 5-oxo-5-[(3S)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459965
methyl 5-oxo-5-[(3R)-3-(2-phenylethyl)piperidin-1-yl]pentanoate
CID 42459961
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
5-(cyclopropylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109223789
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109231191
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95398964
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
1-[(3R)-3-(2-phenylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 26394446

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate?
The IUPAC name of [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate (CID 59862428) is [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate.
What is the SMILES notation for [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate?
The canonical SMILES for [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate is O=C(NCCO)c1cncc(OC(=O)N2CCCC(CCc3ccccc3)C2)c1.
What is the InChIKey of [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate?
The InChIKey is HODCEBBYHBZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-12-10-24-21(27)19-13-20(15-23-14-19)29-22(28)25-11-4-7-18(16-25)9-8-17-5-2-1-3-6-17/h1-3,5-6,13-15,18,26H,4,7-12,16H2,(H,24,27).
What are the key properties of [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate?
[5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxyethylcarbamoyl)-3-pyridinyl] 3-(2-phenylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 59862428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).