3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C32H47ClFN3O3 — CID 10281619

IUPAC3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC[C@@H](C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C32H47ClFN3O3/c1-22(2)36-15-12-25(26(19-36)23-10-11-28(34)27(33)18-23)29(38)35-16-13-32(14-17-35,24-8-6-5-7-9-24)20-37-30(39)40-21-31(37,3)4/h10-11,18,22,24-26H,5-9,12-17,19-21H2,1-4H3/t25-,26+/m1/s1
InChIKeyIXSHRNYZOYYKPW-FTJBHMTQSA-N
MW576.20 g/mol
LogP6.71
Rot. Bonds6

About 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 10281619) has the molecular formula C32H47ClFN3O3 and a molecular weight of 576.20 g/mol. Its IUPAC name is 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID10281619
Molecular FormulaC32H47ClFN3O3
Molecular Weight576.20 g/mol
Exact Mass575.33
IUPAC Name3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)N1CC[C@@H](C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C32H47ClFN3O3/c1-22(2)36-15-12-25(26(19-36)23-10-11-28(34)27(33)18-23)29(38)35-16-13-32(14-17-35,24-8-6-5-7-9-24)20-37-30(39)40-21-31(37,3)4/h10-11,18,22,24-26H,5-9,12-17,19-21H2,1-4H3/t25-,26+/m1/s1
InChIKeyIXSHRNYZOYYKPW-FTJBHMTQSA-N
XLogP6.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.20
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[1-[(3R)-3-(4-chlorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 58606749
3-[[4-cyclohexyl-1-[(4R)-4-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine-3-carbonyl]piperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 58606761
(3S,4S)-4-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbonyl]-3-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 21018595
3-(4-chlorophenyl)-4-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidine-1-carbonyl]piperidine-1-carboximidamide
CID 21018627
3-[[1-[(2R,4S)-2-(4-chlorophenyl)-4-(dimethylamino)cyclohexanecarbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 58597482
3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 59125404
3-[[4-cyclohexyl-1-[(3S,4R)-4-(4-fluorophenyl)piperidin-1-ium-3-carbonyl]piperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;2,2,2-trifluoroacetate
CID 87885279
N-tert-butyl-1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;N-tert-butyl-1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidine-4-carboxamide;3-[[1-[(3R)-1-tert-butyl-3-(2,4-difluorophenyl)piperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one;3-[[1-[(4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 159553571
10-amino-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide
CID 10304921
(1S,2S)-1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1-methyl-3,4-dihydro-2H-naphthalene-2-carboxamide
CID 10305143
(2S,3R)-3-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)-1-propan-2-ylpiperidine
CID 141326883
[1-(3-chloro-4-fluorophenyl)piperidin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 11257536

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 10281619) is 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is CC(C)N1CC[C@@H](C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is IXSHRNYZOYYKPW-FTJBHMTQSA-N. The full InChI is InChI=1S/C32H47ClFN3O3/c1-22(2)36-15-12-25(26(19-36)23-10-11-28(34)27(33)18-23)29(38)35-16-13-32(14-17-35,24-8-6-5-7-9-24)20-37-30(39)40-21-31(37,3)4/h10-11,18,22,24-26H,5-9,12-17,19-21H2,1-4H3/t25-,26+/m1/s1.
What are the key properties of 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 576.20 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3R,4R)-3-(3-chloro-4-fluorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10281619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).