1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one

C18H32N2O3 — CID 71972492

IUPAC1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C(CC(C)C)N2CCCCC2=O)CC1
InChIInChI=1S/C18H32N2O3/c1-14(2)12-16(20-9-5-4-6-17(20)21)18(22)19-10-7-15(8-11-19)13-23-3/h14-16H,4-13H2,1-3H3
InChIKeyBBGUBHDJSKXSSU-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.30
Rot. Bonds6

About 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one

1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one (PubChem CID 71972492) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
PubChem CID71972492
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C(CC(C)C)N2CCCCC2=O)CC1
InChIInChI=1S/C18H32N2O3/c1-14(2)12-16(20-9-5-4-6-17(20)21)18(22)19-10-7-15(8-11-19)13-23-3/h14-16H,4-13H2,1-3H3
InChIKeyBBGUBHDJSKXSSU-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one with MolForge

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Related Compounds

1-[(2S)-4-methyl-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-2-yl]piperidin-2-one
CID 97051473
1-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 119354643
N-(4-aminocyclohexyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 119478575
1-[(2R)-1-[(1S,2S,3R)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one
CID 97051406
ethyl 1-[2-[methyl-[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]acetyl]piperidine-4-carboxylate
CID 71856807
(2S)-2-amino-1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 64596670
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669
2-[4-(methoxymethyl)piperidine-1-carbonyl]butanenitrile
CID 63979968
4-methyl-2-(2-oxopiperidin-1-yl)-N-(piperidin-3-ylmethyl)pentanamide;hydrochloride
CID 119464087
1-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pentan-2-yl]piperidin-2-one
CID 136513895
(3S)-1-[4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685832
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one?
The IUPAC name of 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one (CID 71972492) is 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one is COCC1CCN(C(=O)C(CC(C)C)N2CCCCC2=O)CC1.
What is the InChIKey of 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one?
The InChIKey is BBGUBHDJSKXSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(2)12-16(20-9-5-4-6-17(20)21)18(22)19-10-7-15(8-11-19)13-23-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one?
1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one has a molecular weight of 324.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]piperidin-2-one is sourced from PubChem (CID 71972492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).