2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

C16H24N2O2 — CID 51076807

IUPAC2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(Cc2ccco2)C2CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-17(9-7-13)16(19)12-18(14-4-5-14)11-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyZRDDFUYSXKHJHR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds5

About 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone

2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 51076807) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID51076807
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN(Cc2ccco2)C2CC2)CC1
InChIInChI=1S/C16H24N2O2/c1-13-6-8-17(9-7-13)16(19)12-18(14-4-5-14)11-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyZRDDFUYSXKHJHR-UHFFFAOYSA-N
XLogP2.50
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone (CID 51076807) is 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN(Cc2ccco2)C2CC2)CC1.
What is the InChIKey of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZRDDFUYSXKHJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13-6-8-17(9-7-13)16(19)12-18(14-4-5-14)11-15-3-2-10-20-15/h2-3,10,13-14H,4-9,11-12H2,1H3.
What are the key properties of 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 51076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).