N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide

C22H24N4O2 — CID 14330386

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide
SMILESO=C(c1ccoc1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(19-10-16-28-17-19)26(22-23-11-4-12-24-22)20-8-14-25(15-9-20)13-7-18-5-2-1-3-6-18/h1-6,10-12,16-17,20H,7-9,13-15H2
InChIKeyBEURYHZNGKLEMX-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds6

About N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide

N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide (PubChem CID 14330386) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide
PubChem CID14330386
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide
SMILESO=C(c1ccoc1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(19-10-16-28-17-19)26(22-23-11-4-12-24-22)20-8-14-25(15-9-20)13-7-18-5-2-1-3-6-18/h1-6,10-12,16-17,20H,7-9,13-15H2
InChIKeyBEURYHZNGKLEMX-UHFFFAOYSA-N
XLogP3.42
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide (CID 14330386) is N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide is O=C(c1ccoc1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide?
The InChIKey is BEURYHZNGKLEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(19-10-16-28-17-19)26(22-23-11-4-12-24-22)20-8-14-25(15-9-20)13-7-18-5-2-1-3-6-18/h1-6,10-12,16-17,20H,7-9,13-15H2.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide?
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-3-carboxamide is sourced from PubChem (CID 14330386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).