3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide

C22H30N4O3 — CID 123393062

IUPAC3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
SMILESO=C(CCNCc1ccco1)Nc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C22H30N4O3/c27-21(9-11-23-17-20-8-5-15-29-20)24-18-6-4-7-19(16-18)25-22(28)10-14-26-12-2-1-3-13-26/h4-8,15-16,23H,1-3,9-14,17H2,(H,24,27)(H,25,28)
InChIKeyOCGRHQAWDFYOJE-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.21
Rot. Bonds10

About 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide

3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide (PubChem CID 123393062) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
PubChem CID123393062
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
SMILESO=C(CCNCc1ccco1)Nc1cccc(NC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C22H30N4O3/c27-21(9-11-23-17-20-8-5-15-29-20)24-18-6-4-7-19(16-18)25-22(28)10-14-26-12-2-1-3-13-26/h4-8,15-16,23H,1-3,9-14,17H2,(H,24,27)(H,25,28)
InChIKeyOCGRHQAWDFYOJE-UHFFFAOYSA-N
XLogP3.21
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
methyl 3-[3-(furan-2-ylmethylamino)propanoylamino]benzoate
CID 109018697
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
(2R)-2-amino-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 119883310
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
molecular hydrogen;3-piperidin-1-yl-N-(3-propan-2-ylphenyl)propanamide
CID 142203211

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The IUPAC name of 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide (CID 123393062) is 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide is O=C(CCNCc1ccco1)Nc1cccc(NC(=O)CCN2CCCCC2)c1.
What is the InChIKey of 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
The InChIKey is OCGRHQAWDFYOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c27-21(9-11-23-17-20-8-5-15-29-20)24-18-6-4-7-19(16-18)25-22(28)10-14-26-12-2-1-3-13-26/h4-8,15-16,23H,1-3,9-14,17H2,(H,24,27)(H,25,28).
What are the key properties of 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide?
3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 3.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 123393062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).