(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide

C19H27FN2O3 — CID 72846157

IUPAC(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccccc2F)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C19H27FN2O3/c1-14-13-22(9-8-19(14,24)16-6-10-25-11-7-16)18(23)21-12-15-4-2-3-5-17(15)20/h2-5,14,16,24H,6-13H2,1H3,(H,21,23)/t14-,19+/m1/s1
InChIKeyUGOLCBYBLINKKW-KUHUBIRLSA-N
MW350.43 g/mol
LogP2.53
Rot. Bonds3

About (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide

(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 72846157) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID72846157
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide
SMILESC[C@@H]1CN(C(=O)NCc2ccccc2F)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C19H27FN2O3/c1-14-13-22(9-8-19(14,24)16-6-10-25-11-7-16)18(23)21-12-15-4-2-3-5-17(15)20/h2-5,14,16,24H,6-13H2,1H3,(H,21,23)/t14-,19+/m1/s1
InChIKeyUGOLCBYBLINKKW-KUHUBIRLSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[cyclopropyl(4-fluorobenzyl)amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919148
N-(4-fluorobenzyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49677822
(3R*,4R*)-N-(4-fluorobenzyl)-3-(hydroxymethyl)-4-(4-morpholinylmethyl)-1-pyrrolidinecarboxamide
CID 72869799
(3R*,4R*)-N-(2-fluorobenzyl)-3-(hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinecarboxamide
CID 72895815
N-(4-fluorobenzyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91907686
4-(2-Ethoxyethoxy)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 91907793
4-[Benzyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908259
4-(N-Cyclopropylacetamido)-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909245
4-{1-Cyclopropyl[(propan-2-YL)carbamoyl]amino}-N-[(4-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91909286
1-[(3-Fluorophenyl)methyl]-3-methyl-3-[(oxan-4-YL)methyl]urea
CID 91914985
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(3-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916461
4-[(1-Benzyl-4-piperidyl)oxy]-N~1~-(4-fluorobenzyl)tetrahydro-1(2H)-pyridinecarboxamide
CID 91916466

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide (CID 72846157) is (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide is C[C@@H]1CN(C(=O)NCc2ccccc2F)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is UGOLCBYBLINKKW-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H27FN2O3/c1-14-13-22(9-8-19(14,24)16-6-10-25-11-7-16)18(23)21-12-15-4-2-3-5-17(15)20/h2-5,14,16,24H,6-13H2,1H3,(H,21,23)/t14-,19+/m1/s1.
What are the key properties of (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide?
(3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(2-fluorophenyl)methyl]-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 72846157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).