3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one

C22H35N3O — CID 70719746

IUPAC3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(N(C)CCC(=O)N2CCC(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-23-14-12-21(18-23)24(2)15-13-22(26)25-16-10-20(11-17-25)9-8-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3
InChIKeyBSWYGFAQEJGVPH-UHFFFAOYSA-N
MW357.54 g/mol
LogP2.88
Rot. Bonds7

About 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one

3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (PubChem CID 70719746) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
PubChem CID70719746
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
SMILESCN1CCC(N(C)CCC(=O)N2CCC(CCc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-23-14-12-21(18-23)24(2)15-13-22(26)25-16-10-20(11-17-25)9-8-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3
InChIKeyBSWYGFAQEJGVPH-UHFFFAOYSA-N
XLogP2.88
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one (CID 70719746) is 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is CN1CCC(N(C)CCC(=O)N2CCC(CCc3ccccc3)CC2)C1.
What is the InChIKey of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BSWYGFAQEJGVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-23-14-12-21(18-23)24(2)15-13-22(26)25-16-10-20(11-17-25)9-8-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3.
What are the key properties of 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one?
3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one has a molecular weight of 357.54 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-methylpyrrolidin-3-yl)amino]-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70719746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).