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

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Related Compounds

Furan-2-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 10429616
Furan-2-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330390
(2-Methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 887215
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyrimidin-5-yl-methyl]-benzamide
CID 44395600
Furan-3-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330392
Furan-3-carboxylic acid (6-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330396
Furan-3-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyridin-4-yl-amide
CID 14330399
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
CID 46230579
[2-(2-fluorophenyl)-6,7-dihydroimidazo[1,2-a]pyrimidin-8(5H)-yl](3-furyl)methanone
CID 53183366
2-[4-(2,5-Dimethyl-3-furoyl)-1-piperazinyl]pyrimidine
CID 1246046
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
N-(3-Fluorophenyl)-4-[1-(furan-3-carbonyl)piperidin-3-YL]pyrimidin-2-amine
CID 53140064

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).