[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone

C21H29N3O3 — CID 91838125

IUPAC[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(C(=O)C2CCCO2)CC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H29N3O3/c25-20(23-11-5-17(6-12-23)16-3-9-22-10-4-16)18-7-13-24(14-8-18)21(26)19-2-1-15-27-19/h3-4,9-10,17-19H,1-2,5-8,11-15H2
InChIKeyPAYHSJSVIONJLR-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.21
Rot. Bonds3

About [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone

[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 91838125) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID91838125
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCN(C(=O)C2CCCO2)CC1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H29N3O3/c25-20(23-11-5-17(6-12-23)16-3-9-22-10-4-16)18-7-13-24(14-8-18)21(26)19-2-1-15-27-19/h3-4,9-10,17-19H,1-2,5-8,11-15H2
InChIKeyPAYHSJSVIONJLR-UHFFFAOYSA-N
XLogP2.21
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113004957
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 125177029
(4-pyridin-4-ylpiperidin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 46362695
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 90652723
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118

Frequently Asked Questions

What is the IUPAC name of [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 91838125) is [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone is O=C(C1CCN(C(=O)C2CCCO2)CC1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is PAYHSJSVIONJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(23-11-5-17(6-12-23)16-3-9-22-10-4-16)18-7-13-24(14-8-18)21(26)19-2-1-15-27-19/h3-4,9-10,17-19H,1-2,5-8,11-15H2.
What are the key properties of [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone?
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 371.48 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 91838125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).