3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

C25H34N2O3 — CID 20910757

IUPAC3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)C2(CCCCCC2)OC1=O
InChIInChI=1S/C25H34N2O3/c1-18-11-15-27(16-12-18)17-20-7-9-21(10-8-20)26-23(28)22-19(2)24(29)30-25(22)13-5-3-4-6-14-25/h7-10,18H,3-6,11-17H2,1-2H3,(H,26,28)
InChIKeyFSFOYUPNFMFZAI-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.82
Rot. Bonds4

About 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide

3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide (PubChem CID 20910757) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
PubChem CID20910757
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)C2(CCCCCC2)OC1=O
InChIInChI=1S/C25H34N2O3/c1-18-11-15-27(16-12-18)17-20-7-9-21(10-8-20)26-23(28)22-19(2)24(29)30-25(22)13-5-3-4-6-14-25/h7-10,18H,3-6,11-17H2,1-2H3,(H,26,28)
InChIKeyFSFOYUPNFMFZAI-UHFFFAOYSA-N
XLogP4.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide 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-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide (CID 20910757) is 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2ccc(CN3CCC(C)CC3)cc2)C2(CCCCCC2)OC1=O.
What is the InChIKey of 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
The InChIKey is FSFOYUPNFMFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18-11-15-27(16-12-18)17-20-7-9-21(10-8-20)26-23(28)22-19(2)24(29)30-25(22)13-5-3-4-6-14-25/h7-10,18H,3-6,11-17H2,1-2H3,(H,26,28).
What are the key properties of 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide?
3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide is sourced from PubChem (CID 20910757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).