(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone

C21H25N3O2 — CID 90649725

IUPAC(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-21(17-5-7-18(8-6-17)23-12-1-2-13-23)24-14-9-19(10-15-24)26-20-4-3-11-22-16-20/h3-8,11,16,19H,1-2,9-10,12-15H2
InChIKeyAWZGSQOSXNZCDN-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.37
Rot. Bonds4

About (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone

(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 90649725) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID90649725
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C21H25N3O2/c25-21(17-5-7-18(8-6-17)23-12-1-2-13-23)24-14-9-19(10-15-24)26-20-4-3-11-22-16-20/h3-8,11,16,19H,1-2,9-10,12-15H2
InChIKeyAWZGSQOSXNZCDN-UHFFFAOYSA-N
XLogP3.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
[4-(1,5-dimethylpyrazol-4-yl)phenyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 122566404
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
(5-bromo-2-pyridinyl)-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56643230
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 37070969
N-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone (CID 90649725) is (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCC2)cc1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is AWZGSQOSXNZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(17-5-7-18(8-6-17)23-12-1-2-13-23)24-14-9-19(10-15-24)26-20-4-3-11-22-16-20/h3-8,11,16,19H,1-2,9-10,12-15H2.
What are the key properties of (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone?
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 351.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 90649725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).