1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

C19H25FN2O3 — CID 97206238

IUPAC1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1cccc(F)c1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-6-2-5-15(11-16)17(23)12-21-18(24)13-7-9-22(10-8-13)19(25)14-3-1-4-14/h2,5-6,11,13-14,17,23H,1,3-4,7-10,12H2,(H,21,24)/t17-/m0/s1
InChIKeyUUJBAFIYPACRIE-KRWDZBQOSA-N
MW348.42 g/mol
LogP2.01
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (PubChem CID 97206238) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
PubChem CID97206238
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1cccc(F)c1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H25FN2O3/c20-16-6-2-5-15(11-16)17(23)12-21-18(24)13-7-9-22(10-8-13)19(25)14-3-1-4-14/h2,5-6,11,13-14,17,23H,1,3-4,7-10,12H2,(H,21,24)/t17-/m0/s1
InChIKeyUUJBAFIYPACRIE-KRWDZBQOSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide
CID 97201978
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 51941928
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26011918
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 52532707
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46684535
tert-butyl 4-[[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39956468
1-[(3R)-3-(3-fluorophenyl)-3-hydroxypropanoyl]piperidine-4-carboxylic acid
CID 124703729
(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide (CID 97206238) is 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is O=C(NC[C@H](O)c1cccc(F)c1)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
The InChIKey is UUJBAFIYPACRIE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-6-2-5-15(11-16)17(23)12-21-18(24)13-7-9-22(10-8-13)19(25)14-3-1-4-14/h2,5-6,11,13-14,17,23H,1,3-4,7-10,12H2,(H,21,24)/t17-/m0/s1.
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97206238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).