(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate

C20H26NO4- — CID 6986931

IUPAC(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCOc1ccc(C2[C@H](C(=O)[O-])CCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C20H27NO4/c1-2-25-16-10-8-14(9-11-16)19-17(20(23)24)12-13-18(22)21(19)15-6-4-3-5-7-15/h8-11,15,17,19H,2-7,12-13H2,1H3,(H,23,24)/p-1/t17-,19?/m1/s1
InChIKeyIGAXLNWFPCVKLI-DUSLRRAJSA-M
MW344.43 g/mol
LogP2.45
Rot. Bonds5

About (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate

(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 6986931) has the molecular formula C20H26NO4- and a molecular weight of 344.43 g/mol. Its IUPAC name is (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID6986931
Molecular FormulaC20H26NO4-
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCOc1ccc(C2[C@H](C(=O)[O-])CCC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C20H27NO4/c1-2-25-16-10-8-14(9-11-16)19-17(20(23)24)12-13-18(22)21(19)15-6-4-3-5-7-15/h8-11,15,17,19H,2-7,12-13H2,1H3,(H,23,24)/p-1/t17-,19?/m1/s1
InChIKeyIGAXLNWFPCVKLI-DUSLRRAJSA-M
XLogP2.45
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7188451
1-cyclopentyl-3-(2,2-dimethylpropanoyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108635930
(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
CID 171688374
2-(4-bromophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379117
4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
CID 82193310
2-(4-ethoxyphenyl)cyclohexan-1-one
CID 62801107
2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379249
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
1-(4-cyclohexylcyclohexyl)-4-ethoxybenzene
CID 57277753
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
(4Z)-1-cyclohexyl-5-[4-(dimethylamino)phenyl]-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
CID 108581645
(4Z)-1-cyclohexyl-5-(4-ethoxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108595346

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 6986931) is (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate is CCOc1ccc(C2[C@H](C(=O)[O-])CCC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is IGAXLNWFPCVKLI-DUSLRRAJSA-M. The full InChI is InChI=1S/C20H27NO4/c1-2-25-16-10-8-14(9-11-16)19-17(20(23)24)12-13-18(22)21(19)15-6-4-3-5-7-15/h8-11,15,17,19H,2-7,12-13H2,1H3,(H,23,24)/p-1/t17-,19?/m1/s1.
What are the key properties of (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 344.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 6986931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).