N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C22H24N4O2 — CID 24817424

IUPACN-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1
InChIInChI=1S/C22H24N4O2/c1-16-23-12-17(13-24-16)14-26-10-2-4-19(15-26)22(27)25-20-8-6-18(7-9-20)21-5-3-11-28-21/h3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,25,27)
InChIKeySPXDFDGFHSYKDL-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.90
Rot. Bonds5

About N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 24817424) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
PubChem CID24817424
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1
InChIInChI=1S/C22H24N4O2/c1-16-23-12-17(13-24-16)14-26-10-2-4-19(15-26)22(27)25-20-8-6-18(7-9-20)21-5-3-11-28-21/h3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,25,27)
InChIKeySPXDFDGFHSYKDL-UHFFFAOYSA-N
XLogP3.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 24817424) is N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is SPXDFDGFHSYKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-23-12-17(13-24-16)14-26-10-2-4-19(15-26)22(27)25-20-8-6-18(7-9-20)21-5-3-11-28-21/h3,5-9,11-13,19H,2,4,10,14-15H2,1H3,(H,25,27).
What are the key properties of N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?
N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).