3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one

C14H26N2O2 — CID 63852856

IUPAC3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)CNCC1CCCCN1C1CCOC1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)9-15-10-12-5-3-4-7-16(12)13-6-8-18-14(13)17/h11-13,15H,3-10H2,1-2H3
InChIKeyWSJDHJKBXLKQCI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one

3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one (PubChem CID 63852856) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
PubChem CID63852856
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)CNCC1CCCCN1C1CCOC1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)9-15-10-12-5-3-4-7-16(12)13-6-8-18-14(13)17/h11-13,15H,3-10H2,1-2H3
InChIKeyWSJDHJKBXLKQCI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-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 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one (CID 63852856) is 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one is CC(C)CNCC1CCCCN1C1CCOC1=O.
What is the InChIKey of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
The InChIKey is WSJDHJKBXLKQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)9-15-10-12-5-3-4-7-16(12)13-6-8-18-14(13)17/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one?
3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63852856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).