3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

C27H39ClN2O3 — CID 59125404

IUPAC3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC2(C)C)(C2CCCCC2)CC1
InChIInChI=1S/C27H39ClN2O3/c1-20(17-21-9-11-23(28)12-10-21)24(31)29-15-13-27(14-16-29,22-7-5-4-6-8-22)18-30-25(32)33-19-26(30,2)3/h9-12,20,22H,4-8,13-19H2,1-3H3/t20-/m1/s1
InChIKeyIZRCBGMHUUULNH-HXUWFJFHSA-N
MW475.07 g/mol
LogP5.94
Rot. Bonds6

About 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 59125404) has the molecular formula C27H39ClN2O3 and a molecular weight of 475.07 g/mol. Its IUPAC name is 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID59125404
Molecular FormulaC27H39ClN2O3
Molecular Weight475.07 g/mol
Exact Mass474.26
IUPAC Name3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC2(C)C)(C2CCCCC2)CC1
InChIInChI=1S/C27H39ClN2O3/c1-20(17-21-9-11-23(28)12-10-21)24(31)29-15-13-27(14-16-29,22-7-5-4-6-8-22)18-30-25(32)33-19-26(30,2)3/h9-12,20,22H,4-8,13-19H2,1-3H3/t20-/m1/s1
InChIKeyIZRCBGMHUUULNH-HXUWFJFHSA-N
XLogP5.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.07
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(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
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-[[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-[(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
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
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-[[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
tert-butyl N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[(4-methyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 20743556
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
(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
1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 10211481

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 59125404) is 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(CN2C(=O)OCC2(C)C)(C2CCCCC2)CC1.
What is the InChIKey of 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is IZRCBGMHUUULNH-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H39ClN2O3/c1-20(17-21-9-11-23(28)12-10-21)24(31)29-15-13-27(14-16-29,22-7-5-4-6-8-22)18-30-25(32)33-19-26(30,2)3/h9-12,20,22H,4-8,13-19H2,1-3H3/t20-/m1/s1.
What are the key properties of 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 475.07 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59125404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).