N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide

C20H26N2O3 — CID 111113787

IUPACN-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
SMILESCC(O)C1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c1-16(23)17-9-11-21(12-10-17)15-20(24)22(14-19-8-5-13-25-19)18-6-3-2-4-7-18/h2-8,13,16-17,23H,9-12,14-15H2,1H3
InChIKeyPNFDJWCDWHCTQI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide

N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 111113787) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
PubChem CID111113787
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
SMILESCC(O)C1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O3/c1-16(23)17-9-11-21(12-10-17)15-20(24)22(14-19-8-5-13-25-19)18-6-3-2-4-7-18/h2-8,13,16-17,23H,9-12,14-15H2,1H3
InChIKeyPNFDJWCDWHCTQI-UHFFFAOYSA-N
XLogP2.91
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-phenylacetamide
CID 78904271
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-(furan-2-ylmethyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 110019757
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 86922308
1-[2-[N-(furan-2-ylmethyl)anilino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 78829146
N-(furan-2-ylmethyl)-2-[methyl(3-methylbutyl)amino]-N-phenylacetamide
CID 78899393
2-(4-benzylpiperazin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 78787266
2-[4-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]piperazin-1-yl]-N-butan-2-ylacetamide
CID 55570754
N-benzyl-2-[cyclopropyl(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 34218809
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
N-(furan-2-ylmethyl)-N-phenyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55443414

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide (CID 111113787) is N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide is CC(O)C1CCN(CC(=O)N(Cc2ccco2)c2ccccc2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is PNFDJWCDWHCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16(23)17-9-11-21(12-10-17)15-20(24)22(14-19-8-5-13-25-19)18-6-3-2-4-7-18/h2-8,13,16-17,23H,9-12,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide?
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 342.44 g/mol, XLogP of 2.91, 6 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-[4-(1-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 111113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).