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

C22H24N4O2 — CID 10429616

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(20-8-4-17-28-20)26(22-23-12-5-13-24-22)19-10-15-25(16-11-19)14-9-18-6-2-1-3-7-18/h1-8,12-13,17,19H,9-11,14-16H2
InChIKeyOBRQIXPWUKGPHB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds6

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

N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide (PubChem CID 10429616) 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-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
PubChem CID10429616
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
SMILESO=C(c1ccco1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(20-8-4-17-28-20)26(22-23-12-5-13-24-22)19-10-15-25(16-11-19)14-9-18-6-2-1-3-7-18/h1-8,12-13,17,19H,9-11,14-16H2
InChIKeyOBRQIXPWUKGPHB-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

N-[1-(2-phenylethyl)piperidin-4-yl]-N-quinolin-3-ylfuran-2-carboxamide
CID 14330418
N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carbohydrazide
CID 118895801
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
methyl N-[2-[furan-2-carbonyl-[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]carbamate
CID 11955471
N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
CID 54094091
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)furan-2-carboxamide
CID 24731871
trans-(1S,2S)-2-[phenyl-[1-(2-phenylethyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 178169179
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
CID 21496451
N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 175263076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide (CID 10429616) is N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide is O=C(c1ccco1)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide?
The InChIKey is OBRQIXPWUKGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(20-8-4-17-28-20)26(22-23-12-5-13-24-22)19-10-15-25(16-11-19)14-9-18-6-2-1-3-7-18/h1-8,12-13,17,19H,9-11,14-16H2.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide?
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-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-2-carboxamide is sourced from PubChem (CID 10429616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).