N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride

C20H26ClN3O4 — CID 119557618

IUPACN-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC1CCCNC1
InChIInChI=1S/C20H25N3O4.ClH/c24-19(22-10-8-15-4-2-9-21-13-15)14-27-17-6-1-5-16(12-17)23-20(25)18-7-3-11-26-18;/h1,3,5-7,11-12,15,21H,2,4,8-10,13-14H2,(H,22,24)(H,23,25);1H
InChIKeyNAFQNZVACPAYOG-UHFFFAOYSA-N
MW407.90 g/mol
LogP2.84
Rot. Bonds8

About N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride

N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119557618) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119557618
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC NameN-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC1CCCNC1
InChIInChI=1S/C20H25N3O4.ClH/c24-19(22-10-8-15-4-2-9-21-13-15)14-27-17-6-1-5-16(12-17)23-20(25)18-7-3-11-26-18;/h1,3,5-7,11-12,15,21H,2,4,8-10,13-14H2,(H,22,24)(H,23,25);1H
InChIKeyNAFQNZVACPAYOG-UHFFFAOYSA-N
XLogP2.84
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119462625
2-(3-bromophenoxy)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557900
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
2-(3-acetylphenoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119537117
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
N-[3-[2-[(2-methylpiperidin-4-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120601673

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (CID 119557618) is N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is Cl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCCC1CCCNC1.
What is the InChIKey of N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is NAFQNZVACPAYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c24-19(22-10-8-15-4-2-9-21-13-15)14-27-17-6-1-5-16(12-17)23-20(25)18-7-3-11-26-18;/h1,3,5-7,11-12,15,21H,2,4,8-10,13-14H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119557618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).