oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

C14H24N2O2 — CID 54885653

IUPACoxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H24N2O2/c17-14(13-6-3-9-18-13)16-8-2-5-12(16)11-4-1-7-15-10-11/h11-13,15H,1-10H2
InChIKeyALHJZZWUOCPPQD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds2

About oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone

oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 54885653) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
PubChem CID54885653
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameoxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H24N2O2/c17-14(13-6-3-9-18-13)16-8-2-5-12(16)11-4-1-7-15-10-11/h11-13,15H,1-10H2
InChIKeyALHJZZWUOCPPQD-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-[(2S)-oxolan-2-yl]methanone
CID 102679333
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(morpholin-2-yl)methanone
CID 81488866
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60978516
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone
CID 94607673
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 99782883
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 60978651
N-methyl-1-[(2R)-oxolane-2-carbonyl]piperazine-2-carboxamide
CID 104856345
[2-(hydroxymethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 61410730

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone (CID 54885653) is oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is O=C(C1CCCO1)N1CCCC1C1CCCNC1.
What is the InChIKey of oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is ALHJZZWUOCPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(13-6-3-9-18-13)16-8-2-5-12(16)11-4-1-7-15-10-11/h11-13,15H,1-10H2.
What are the key properties of oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone?
oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 54885653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).