[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone

C23H27N3O4 — CID 91904267

IUPAC[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H27N3O4/c1-29-20-10-4-3-8-18(20)22(27)26-15-11-17(16-26)30-21-19(9-7-12-24-21)23(28)25-13-5-2-6-14-25/h3-4,7-10,12,17H,2,5-6,11,13-16H2,1H3
InChIKeyIGNIOTPZSLXSNW-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.01
Rot. Bonds5

About [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone

[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 91904267) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID91904267
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1C(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C23H27N3O4/c1-29-20-10-4-3-8-18(20)22(27)26-15-11-17(16-26)30-21-19(9-7-12-24-21)23(28)25-13-5-2-6-14-25/h3-4,7-10,12,17H,2,5-6,11,13-16H2,1H3
InChIKeyIGNIOTPZSLXSNW-UHFFFAOYSA-N
XLogP3.01
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91913913
(3,4-difluorophenyl)-[(3S)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 99739432
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
N-(4-methoxy-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914058
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
(2-methoxy-3-pyridinyl)-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]methanone
CID 121150505
(2-methoxy-3-pyridinyl)-[(3R)-3-quinolin-2-yloxypyrrolidin-1-yl]methanone
CID 124727992
3-(1H-indol-3-yl)-1-[3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
CID 91904306
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
3-[[3-(morpholine-4-carbonyl)-2-pyridinyl]oxy]-N-phenylpyrrolidine-1-carboxamide
CID 91904308

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone (CID 91904267) is [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone is COc1ccccc1C(=O)N1CCC(Oc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is IGNIOTPZSLXSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-29-20-10-4-3-8-18(20)22(27)26-15-11-17(16-26)30-21-19(9-7-12-24-21)23(28)25-13-5-2-6-14-25/h3-4,7-10,12,17H,2,5-6,11,13-16H2,1H3.
What are the key properties of [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 409.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 91904267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).