(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

C22H23F2N3O3 — CID 99739432

IUPAC(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC[C@H](Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C22H23F2N3O3/c23-18-7-6-15(13-19(18)24)21(28)27-12-8-16(14-27)30-20-17(5-4-9-25-20)22(29)26-10-2-1-3-11-26/h4-7,9,13,16H,1-3,8,10-12,14H2/t16-/m0/s1
InChIKeyHPFZVJNHSUJVPL-INIZCTEOSA-N
MW415.44 g/mol
LogP3.28
Rot. Bonds4

About (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone

(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (PubChem CID 99739432) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
PubChem CID99739432
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CC[C@H](Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C22H23F2N3O3/c23-18-7-6-15(13-19(18)24)21(28)27-12-8-16(14-27)30-20-17(5-4-9-25-20)22(29)26-10-2-1-3-11-26/h4-7,9,13,16H,1-3,8,10-12,14H2/t16-/m0/s1
InChIKeyHPFZVJNHSUJVPL-INIZCTEOSA-N
XLogP3.28
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
2-[1-(2,5-difluorobenzoyl)pyrrolidin-3-yl]oxy-N-ethylpyridine-3-carboxamide
CID 91914006
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914058
[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124738553
(4-chloro-2-pyridinyl)-[(3R)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 125139170
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 71798834
3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 91904306
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 129417980

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone (CID 99739432) is (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CC[C@H](Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
The InChIKey is HPFZVJNHSUJVPL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c23-18-7-6-15(13-19(18)24)21(28)27-12-8-16(14-27)30-20-17(5-4-9-25-20)22(29)26-10-2-1-3-11-26/h4-7,9,13,16H,1-3,8,10-12,14H2/t16-/m0/s1.
What are the key properties of (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone?
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone has a molecular weight of 415.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99739432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).