1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide

C19H25N3O2 — CID 75385275

IUPAC1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NCc3ccoc3)cc2)CC1
InChIInChI=1S/C19H25N3O2/c20-19(23)17-6-10-22(11-7-17)9-5-15-1-3-18(4-2-15)21-13-16-8-12-24-14-16/h1-4,8,12,14,17,21H,5-7,9-11,13H2,(H2,20,23)
InChIKeyCSCYEAIVCSRSEV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.63
Rot. Bonds7

About 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide

1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 75385275) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID75385275
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCc2ccc(NCc3ccoc3)cc2)CC1
InChIInChI=1S/C19H25N3O2/c20-19(23)17-6-10-22(11-7-17)9-5-15-1-3-18(4-2-15)21-13-16-8-12-24-14-16/h1-4,8,12,14,17,21H,5-7,9-11,13H2,(H2,20,23)
InChIKeyCSCYEAIVCSRSEV-UHFFFAOYSA-N
XLogP2.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide (CID 75385275) is 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCc2ccc(NCc3ccoc3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is CSCYEAIVCSRSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-19(23)17-6-10-22(11-7-17)9-5-15-1-3-18(4-2-15)21-13-16-8-12-24-14-16/h1-4,8,12,14,17,21H,5-7,9-11,13H2,(H2,20,23).
What are the key properties of 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide?
1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(furan-3-ylmethylamino)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 75385275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).