1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

C22H26FN3O2 — CID 45240330

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O2/c1-16-5-4-11-24-20(16)15-25(2)22(28)18-8-9-21(27)26(14-18)12-10-17-6-3-7-19(23)13-17/h3-7,11,13,18H,8-10,12,14-15H2,1-2H3
InChIKeyBMJPMMDQCMZIMU-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.97
Rot. Bonds6

About 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 45240330) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID45240330
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O2/c1-16-5-4-11-24-20(16)15-25(2)22(28)18-8-9-21(27)26(14-18)12-10-17-6-3-7-19(23)13-17/h3-7,11,13,18H,8-10,12,14-15H2,1-2H3
InChIKeyBMJPMMDQCMZIMU-UHFFFAOYSA-N
XLogP2.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide (CID 45240330) is 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cccnc1CN(C)C(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BMJPMMDQCMZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-5-4-11-24-20(16)15-25(2)22(28)18-8-9-21(27)26(14-18)12-10-17-6-3-7-19(23)13-17/h3-7,11,13,18H,8-10,12,14-15H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45240330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).