1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone

C19H27N3O3 — CID 123173796

IUPAC1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
SMILESO=C(CNCCN1CCCCC1)c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C19H27N3O3/c23-18(15-20-8-11-22-9-2-1-3-10-22)19-7-6-17(25-19)14-21-13-16-5-4-12-24-16/h4-7,12,20-21H,1-3,8-11,13-15H2
InChIKeyQDXSSQQXMSNVDN-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.42
Rot. Bonds10

About 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone

1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone (PubChem CID 123173796) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone.

Molecular Properties

Compound Name1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
PubChem CID123173796
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
SMILESO=C(CNCCN1CCCCC1)c1ccc(CNCc2ccco2)o1
InChIInChI=1S/C19H27N3O3/c23-18(15-20-8-11-22-9-2-1-3-10-22)19-7-6-17(25-19)14-21-13-16-5-4-12-24-16/h4-7,12,20-21H,1-3,8-11,13-15H2
InChIKeyQDXSSQQXMSNVDN-UHFFFAOYSA-N
XLogP2.42
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(4-acetylpiperazin-1-yl)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone
CID 123725845
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 123393062
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
N-[(5-iodofuran-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767985
2-(4-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 62556363
2-(4,4-diethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 63163129
N-(furan-2-ylmethyl)-1-methyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416111
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The IUPAC name of 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone (CID 123173796) is 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone.
What is the SMILES notation for 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The canonical SMILES for 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone is O=C(CNCCN1CCCCC1)c1ccc(CNCc2ccco2)o1.
What is the InChIKey of 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
The InChIKey is QDXSSQQXMSNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(15-20-8-11-22-9-2-1-3-10-22)19-7-6-17(25-19)14-21-13-16-5-4-12-24-16/h4-7,12,20-21H,1-3,8-11,13-15H2.
What are the key properties of 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone?
1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone has a molecular weight of 345.44 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(furan-2-ylmethylamino)methyl]furan-2-yl]-2-(2-piperidin-1-ylethylamino)ethanone is sourced from PubChem (CID 123173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).