3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one

C21H33N3O2 — CID 70743545

IUPAC3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESCN1CCC(N(C)CCC(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O2/c1-22-12-8-19(16-22)23(2)13-11-21(25)24-14-9-20(10-15-24)26-17-18-6-4-3-5-7-18/h3-7,19-20H,8-17H2,1-2H3
InChIKeyPHOFKPCFOXVUEG-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.22
Rot. Bonds7

About 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one

3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one (PubChem CID 70743545) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
PubChem CID70743545
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESCN1CCC(N(C)CCC(=O)N2CCC(OCc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O2/c1-22-12-8-19(16-22)23(2)13-11-21(25)24-14-9-20(10-15-24)26-17-18-6-4-3-5-7-18/h3-7,19-20H,8-17H2,1-2H3
InChIKeyPHOFKPCFOXVUEG-UHFFFAOYSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one (CID 70743545) is 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one is CN1CCC(N(C)CCC(=O)N2CCC(OCc3ccccc3)CC2)C1.
What is the InChIKey of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
The InChIKey is PHOFKPCFOXVUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-22-12-8-19(16-22)23(2)13-11-21(25)24-14-9-20(10-15-24)26-17-18-6-4-3-5-7-18/h3-7,19-20H,8-17H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one?
3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one has a molecular weight of 359.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-(4-phenylmethoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 70743545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).