(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide

C23H28FN3O2 — CID 58585901

IUPAC(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1
InChIInChI=1S/C23H28FN3O2/c24-21-6-2-1-5-20(21)16-7-12-22(25-14-16)27-13-3-4-17(15-27)23(29)26-18-8-10-19(28)11-9-18/h1-2,5-7,12,14,17-19,28H,3-4,8-11,13,15H2,(H,26,29)/t17-,18?,19?/m0/s1
InChIKeyFNGJQELOORQCPJ-VIQWUECVSA-N
MW397.49 g/mol
LogP3.52
Rot. Bonds4

About (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide

(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (PubChem CID 58585901) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
PubChem CID58585901
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1
InChIInChI=1S/C23H28FN3O2/c24-21-6-2-1-5-20(21)16-7-12-22(25-14-16)27-13-3-4-17(15-27)23(29)26-18-8-10-19(28)11-9-18/h1-2,5-7,12,14,17-19,28H,3-4,8-11,13,15H2,(H,26,29)/t17-,18?,19?/m0/s1
InChIKeyFNGJQELOORQCPJ-VIQWUECVSA-N
XLogP3.52
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431316
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
N-[4-(3,5-difluorophenoxy)cyclohexyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 175643881
(3S)-N-cyclopropyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055724
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
(3S)-N-(1-ethylpiperidin-4-yl)-1-pyridin-2-ylpiperidine-3-carboxamide
CID 94824323
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide (CID 58585901) is (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide is O=C(NC1CCC(O)CC1)[C@H]1CCCN(c2ccc(-c3ccccc3F)cn2)C1.
What is the InChIKey of (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
The InChIKey is FNGJQELOORQCPJ-VIQWUECVSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-21-6-2-1-5-20(21)16-7-12-22(25-14-16)27-13-3-4-17(15-27)23(29)26-18-8-10-19(28)11-9-18/h1-2,5-7,12,14,17-19,28H,3-4,8-11,13,15H2,(H,26,29)/t17-,18?,19?/m0/s1.
What are the key properties of (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide?
(3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(2-fluorophenyl)-2-pyridinyl]-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide is sourced from PubChem (CID 58585901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).