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

C32H48ClN3O3 — CID 58606749

IUPAC3-[[1-[(3R)-3-(4-chlorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C32H48ClN3O3/c1-23(2)35-17-14-27(28(20-35)24-10-12-26(33)13-11-24)29(37)34-18-15-32(16-19-34,25-8-6-5-7-9-25)21-36-30(38)39-22-31(36,3)4/h10-13,23,25,27-28H,5-9,14-22H2,1-4H3/t27?,28-/m0/s1
InChIKeyHEZQNOYYPJCVMB-CPRJBALCSA-N
MW558.21 g/mol
LogP6.57
Rot. Bonds6

About 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

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 (PubChem CID 58606749) has the molecular formula C32H48ClN3O3 and a molecular weight of 558.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[1-[(3R)-3-(4-chlorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID58606749
Molecular FormulaC32H48ClN3O3
Molecular Weight558.21 g/mol
Exact Mass557.34
IUPAC Name3-[[1-[(3R)-3-(4-chlorophenyl)-1-propan-2-ylpiperidine-4-carbonyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCC(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C32H48ClN3O3/c1-23(2)35-17-14-27(28(20-35)24-10-12-26(33)13-11-24)29(37)34-18-15-32(16-19-34,25-8-6-5-7-9-25)21-36-30(38)39-22-31(36,3)4/h10-13,23,25,27-28H,5-9,14-22H2,1-4H3/t27?,28-/m0/s1
InChIKeyHEZQNOYYPJCVMB-CPRJBALCSA-N
XLogP6.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.21
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
(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-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
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
(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
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
(3R)-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]-1-methylpiperidine-3-carboxamide;(2R)-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]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 91471265
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]formamide
CID 142117183

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC(C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)[C@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of 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?
The InChIKey is HEZQNOYYPJCVMB-CPRJBALCSA-N. The full InChI is InChI=1S/C32H48ClN3O3/c1-23(2)35-17-14-27(28(20-35)24-10-12-26(33)13-11-24)29(37)34-18-15-32(16-19-34,25-8-6-5-7-9-25)21-36-30(38)39-22-31(36,3)4/h10-13,23,25,27-28H,5-9,14-22H2,1-4H3/t27?,28-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 558.21 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58606749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).