1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide

C18H23FN2O3 — CID 111565698

IUPAC1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H23FN2O3/c19-15-6-2-1-5-14(15)16(22)10-20-17(23)13-4-3-9-21(11-13)18(24)12-7-8-12/h1-2,5-6,12-13,16,22H,3-4,7-11H2,(H,20,23)
InChIKeyIQZGVKRNQBKYLY-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.62
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide (PubChem CID 111565698) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
PubChem CID111565698
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C18H23FN2O3/c19-15-6-2-1-5-14(15)16(22)10-20-17(23)13-4-3-9-21(11-13)18(24)12-7-8-12/h1-2,5-6,12-13,16,22H,3-4,7-11H2,(H,20,23)
InChIKeyIQZGVKRNQBKYLY-UHFFFAOYSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]methanone
CID 110887653
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-1-propanoylpiperidine-3-carboxamide
CID 111451571
(3R)-1-(cyclopropanecarbonyl)-N-[(1S)-1-cyclopropyl-2-phenylethyl]piperidine-3-carboxamide
CID 95632147
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111120168
1-(cyclopropanecarbonyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 128945509
(2S,4S)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621886
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
N-(3-amino-2-methylpropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119995887
(2-fluorophenyl)methyl 1-(cyclopropanecarbonyl)piperidine-3-carboxylate
CID 60612350
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide (CID 111565698) is 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide is O=C(NCC(O)c1ccccc1F)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
The InChIKey is IQZGVKRNQBKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-6-2-1-5-14(15)16(22)10-20-17(23)13-4-3-9-21(11-13)18(24)12-7-8-12/h1-2,5-6,12-13,16,22H,3-4,7-11H2,(H,20,23).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide is sourced from PubChem (CID 111565698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).