4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one

C19H33N3O3 — CID 45208360

IUPAC4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C19H33N3O3/c1-18(2)16(23)20-10-12-22(18)14-19(25)9-6-11-21(17(19)24)13-15-7-4-3-5-8-15/h15,25H,3-14H2,1-2H3,(H,20,23)
InChIKeySUMLIQVYHORERL-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.13
Rot. Bonds4

About 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one

4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 45208360) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID45208360
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1CC1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C19H33N3O3/c1-18(2)16(23)20-10-12-22(18)14-19(25)9-6-11-21(17(19)24)13-15-7-4-3-5-8-15/h15,25H,3-14H2,1-2H3,(H,20,23)
InChIKeySUMLIQVYHORERL-UHFFFAOYSA-N
XLogP1.13
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one with MolForge

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Related Compounds

(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 29021771
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
CID 42363388
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(2-methylprop-2-enylamino)methyl]piperidin-2-one
CID 25305646
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362
1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
CID 45219636
1-(cyclohexylmethyl)-3-hydroxy-3-[[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]methyl]piperidin-2-one
CID 45203879
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 56758793
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one (CID 45208360) is 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1CC1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is SUMLIQVYHORERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-18(2)16(23)20-10-12-22(18)14-19(25)9-6-11-21(17(19)24)13-15-7-4-3-5-8-15/h15,25H,3-14H2,1-2H3,(H,20,23).
What are the key properties of 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 351.49 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 45208360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).