(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one

C16H28N2O3 — CID 102274739

IUPAC(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](CN2CCCCC2)N1C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H28N2O3/c19-15-7-3-2-6-13(15)10-18-14(12-21-16(18)20)11-17-8-4-1-5-9-17/h13-15,19H,1-12H2/t13-,14-,15-/m0/s1
InChIKeySGWWIPVXDUWCPD-KKUMJFAQSA-N
MW296.41 g/mol
LogP1.84
Rot. Bonds4

About (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one

(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 102274739) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID102274739
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](CN2CCCCC2)N1C[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H28N2O3/c19-15-7-3-2-6-13(15)10-18-14(12-21-16(18)20)11-17-8-4-1-5-9-17/h13-15,19H,1-12H2/t13-,14-,15-/m0/s1
InChIKeySGWWIPVXDUWCPD-KKUMJFAQSA-N
XLogP1.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-(2-Cyclohexyl-4-hydroxypyrrolidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 60314140
(4S)-4-(cyclohexylmethyl)-3-(3-hydroxypentyl)-1,3-oxazolidin-2-one
CID 18632974
4-(1-Cyclohexyl-2-hydroxy-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 58786406
Tert-butyl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
CID 58786601
Tert-butyl 4-(1-cyclopentyl-2-hydroxyethyl)piperazine-1-carboxylate
CID 58786728
Tert-butyl 4-[2-(hydroxymethyl)cyclohexyl]piperazine-1-carboxylate
CID 69880368
tert-butyl 4-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]piperazine-1-carboxylate
CID 69880369
tert-butyl 4-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]piperazine-1-carboxylate
CID 70028085
Ethane;propan-2-yl 4-(1-cyclohexyl-3-hydroxypropan-2-yl)piperazine-1-carboxylate
CID 142156800
tert-butyl (2S,4R)-2-(1-ethylpiperidin-4-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 10637838
3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16723332
3-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 16723453

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 102274739) is (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC[C@H](CN2CCCCC2)N1C[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is SGWWIPVXDUWCPD-KKUMJFAQSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15-7-3-2-6-13(15)10-18-14(12-21-16(18)20)11-17-8-4-1-5-9-17/h13-15,19H,1-12H2/t13-,14-,15-/m0/s1.
What are the key properties of (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one?
(4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 102274739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).