2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

C25H29N3O3 — CID 78821105

IUPAC2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24-9-3-2-7-20(24)17-27(18-23-8-6-16-31-23)19-25(30)26-21-10-12-22(13-11-21)28-14-4-1-5-15-28/h2-3,6-13,16,29H,1,4-5,14-15,17-19H2,(H,26,30)
InChIKeyWSKLGQRDNVDCLR-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.62
Rot. Bonds8

About 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 78821105) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID78821105
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H29N3O3/c29-24-9-3-2-7-20(24)17-27(18-23-8-6-16-31-23)19-25(30)26-21-10-12-22(13-11-21)28-14-4-1-5-15-28/h2-3,6-13,16,29H,1,4-5,14-15,17-19H2,(H,26,30)
InChIKeyWSKLGQRDNVDCLR-UHFFFAOYSA-N
XLogP4.62
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 86911076
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-(2-aminophenyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 28712679
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-pentylacetamide
CID 78820887
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-chloro-2-methylphenyl)-2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 78821266
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
N-(4-piperidin-1-ylphenyl)-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]acetamide
CID 78808517
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496595
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 78821105) is 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN(Cc1ccco1)Cc1ccccc1O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is WSKLGQRDNVDCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c29-24-9-3-2-7-20(24)17-27(18-23-8-6-16-31-23)19-25(30)26-21-10-12-22(13-11-21)28-14-4-1-5-15-28/h2-3,6-13,16,29H,1,4-5,14-15,17-19H2,(H,26,30).
What are the key properties of 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-[(2-hydroxyphenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 78821105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).