(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide

C23H27F3N2O2 — CID 140513981

IUPAC(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide
SMILESCc1cc(F)ccc1[C@H]1C[C@@H](O)CCN1C(=O)NCC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C23H27F3N2O2/c1-14(7-16-9-18(25)11-19(26)10-16)13-27-23(30)28-6-5-20(29)12-22(28)21-4-3-17(24)8-15(21)2/h3-4,8-11,14,20,22,29H,5-7,12-13H2,1-2H3,(H,27,30)/t14?,20-,22+/m0/s1
InChIKeyGDVBPQMRCAXAPN-TVWVCXNOSA-N
MW420.48 g/mol
LogP4.50
Rot. Bonds5

About (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide

(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 140513981) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID140513981
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide
SMILESCc1cc(F)ccc1[C@H]1C[C@@H](O)CCN1C(=O)NCC(C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C23H27F3N2O2/c1-14(7-16-9-18(25)11-19(26)10-16)13-27-23(30)28-6-5-20(29)12-22(28)21-4-3-17(24)8-15(21)2/h3-4,8-11,14,20,22,29H,5-7,12-13H2,1-2H3,(H,27,30)/t14?,20-,22+/m0/s1
InChIKeyGDVBPQMRCAXAPN-TVWVCXNOSA-N
XLogP4.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

MK-0731
CID 11655511
(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 468423
5-[[(4R,5R,6R)-6-benzyl-5-hydroxy-2-oxo-4-phenethyl-hexahydropyrimidin-1-yl]methyl]-2-fluoro-benzonitrile
CID 471221
(2S)-4-(2,5-Difluorophenyl)-N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11442529
(2S)-4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11655513
(2S)-4-(2,5-Difluorophenyl)-2-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24905911
(2S)-4-(2,5-difluorophenyl)-N-(1-(2-fluoroethyl)piperidin-4-yl)-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24905913
(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 44568371
4-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-4-(3-tert-butylphenyl)piperidine-1-carboxamide
CID 45486956
(2S,5S,7R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluoro-2-methylphenyl)-2-(hydroxymethyl)-N,2-dimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 88004098
(2R,5S,7R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluoro-2-methylphenyl)-2-(hydroxymethyl)-N,2-dimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 88004615
(2S,5S,7R)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-7-(4-fluoro-2-methylphenyl)-2-(hydroxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide;hydrochloride
CID 88004953

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide (CID 140513981) is (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide is Cc1cc(F)ccc1[C@H]1C[C@@H](O)CCN1C(=O)NCC(C)Cc1cc(F)cc(F)c1.
What is the InChIKey of (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is GDVBPQMRCAXAPN-TVWVCXNOSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-14(7-16-9-18(25)11-19(26)10-16)13-27-23(30)28-6-5-20(29)12-22(28)21-4-3-17(24)8-15(21)2/h3-4,8-11,14,20,22,29H,5-7,12-13H2,1-2H3,(H,27,30)/t14?,20-,22+/m0/s1.
What are the key properties of (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide?
(2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[3-(3,5-difluorophenyl)-2-methylpropyl]-2-(4-fluoro-2-methylphenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 140513981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).