(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone

C14H23NO2 — CID 71180019

IUPAC(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone
SMILESCCCCC1CCN(C(=O)C2CC=CO2)CC1
InChIInChI=1S/C14H23NO2/c1-2-3-5-12-7-9-15(10-8-12)14(16)13-6-4-11-17-13/h4,11-13H,2-3,5-10H2,1H3
InChIKeyGMQXYXCSIADQDO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.72
Rot. Bonds4

About (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone

(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone (PubChem CID 71180019) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone
PubChem CID71180019
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone
SMILESCCCCC1CCN(C(=O)C2CC=CO2)CC1
InChIInChI=1S/C14H23NO2/c1-2-3-5-12-7-9-15(10-8-12)14(16)13-6-4-11-17-13/h4,11-13H,2-3,5-10H2,1H3
InChIKeyGMQXYXCSIADQDO-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone?
The IUPAC name of (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone (CID 71180019) is (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone.
What is the SMILES notation for (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone?
The canonical SMILES for (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone is CCCCC1CCN(C(=O)C2CC=CO2)CC1.
What is the InChIKey of (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone?
The InChIKey is GMQXYXCSIADQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-5-12-7-9-15(10-8-12)14(16)13-6-4-11-17-13/h4,11-13H,2-3,5-10H2,1H3.
What are the key properties of (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone?
(4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone has a molecular weight of 237.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperidin-1-yl)-(2,3-dihydrofuran-2-yl)methanone is sourced from PubChem (CID 71180019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).