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

C16H28N2O3 — CID 131922514

IUPAC1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-21-13-14-7-11-18(12-8-14)16(20)6-4-10-17-9-3-2-5-15(17)19/h14H,2-13H2,1H3
InChIKeyMOZWDCMBPUSNOJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds6

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

1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one (PubChem CID 131922514) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one
PubChem CID131922514
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O3/c1-21-13-14-7-11-18(12-8-14)16(20)6-4-10-17-9-3-2-5-15(17)19/h14H,2-13H2,1H3
InChIKeyMOZWDCMBPUSNOJ-UHFFFAOYSA-N
XLogP1.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one?
The IUPAC name of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one (CID 131922514) is 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one?
The canonical SMILES for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one is COCC1CCN(C(=O)CCCN2CCCCC2=O)CC1.
What is the InChIKey of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one?
The InChIKey is MOZWDCMBPUSNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-21-13-14-7-11-18(12-8-14)16(20)6-4-10-17-9-3-2-5-15(17)19/h14H,2-13H2,1H3.
What are the key properties of 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one?
1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one has a molecular weight of 296.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methoxymethyl)piperidin-1-yl]-4-oxobutyl]piperidin-2-one is sourced from PubChem (CID 131922514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).