N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide

C14H22N2O3 — CID 115873726

IUPACN-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCCC(C)(O)C1
InChIInChI=1S/C14H22N2O3/c1-14(18)6-4-7-16(11-14)10-13(17)15(2)9-12-5-3-8-19-12/h3,5,8,18H,4,6-7,9-11H2,1-2H3
InChIKeyJLKYBANWTKZHSH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.08
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide

N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide (PubChem CID 115873726) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
PubChem CID115873726
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCCC(C)(O)C1
InChIInChI=1S/C14H22N2O3/c1-14(18)6-4-7-16(11-14)10-13(17)15(2)9-12-5-3-8-19-12/h3,5,8,18H,4,6-7,9-11H2,1-2H3
InChIKeyJLKYBANWTKZHSH-UHFFFAOYSA-N
XLogP1.08
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 43162522
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-N-methylacetamide
CID 129484094
2-(2,4-dioxo-3-propan-2-yl-1,3,7-triazaspiro[4.4]nonan-7-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 71872400
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
N-(furan-2-ylmethyl)-N-methyl-2-[(3S)-3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]acetamide
CID 95780908
methyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]morpholine-2-carboxylate
CID 78927090
N-(furan-2-ylmethyl)-N-methyl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 47023476
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78819072
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 96514191

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide (CID 115873726) is N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1CCCC(C)(O)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is JLKYBANWTKZHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(18)6-4-7-16(11-14)10-13(17)15(2)9-12-5-3-8-19-12/h3,5,8,18H,4,6-7,9-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide?
N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 266.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 115873726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).