oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H24N2O2 — CID 61271085

IUPACoxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H24N2O2/c17-14(12-5-8-18-10-12)16-7-2-3-11(9-16)13-4-1-6-15-13/h11-13,15H,1-10H2
InChIKeySXBBNVSUQJIFKQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.01
Rot. Bonds2

About oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 61271085) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID61271085
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nameoxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1CCOC1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H24N2O2/c17-14(12-5-8-18-10-12)16-7-2-3-11(9-16)13-4-1-6-15-13/h11-13,15H,1-10H2
InChIKeySXBBNVSUQJIFKQ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 61271085) is oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(C1CCOC1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SXBBNVSUQJIFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(12-5-8-18-10-12)16-7-2-3-11(9-16)13-4-1-6-15-13/h11-13,15H,1-10H2.
What are the key properties of oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 252.36 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 61271085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).