3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide

C20H23F2N3O2 — CID 136554718

IUPAC3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ncccc1CCNC(=O)N1CCCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-27-19-14(4-2-9-23-19)8-10-24-20(26)25-11-3-5-16(13-25)15-6-7-17(21)18(22)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13H2,1H3,(H,24,26)
InChIKeyAJMZYKBKKDPUAK-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.50
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide

3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide (PubChem CID 136554718) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
PubChem CID136554718
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ncccc1CCNC(=O)N1CCCC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C20H23F2N3O2/c1-27-19-14(4-2-9-23-19)8-10-24-20(26)25-11-3-5-16(13-25)15-6-7-17(21)18(22)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13H2,1H3,(H,24,26)
InChIKeyAJMZYKBKKDPUAK-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide (CID 136554718) is 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide is COc1ncccc1CCNC(=O)N1CCCC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide?
The InChIKey is AJMZYKBKKDPUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-27-19-14(4-2-9-23-19)8-10-24-20(26)25-11-3-5-16(13-25)15-6-7-17(21)18(22)12-15/h2,4,6-7,9,12,16H,3,5,8,10-11,13H2,1H3,(H,24,26).
What are the key properties of 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide?
3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-[2-(2-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 136554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).