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

C19H24ClN3O4 — CID 119462625

IUPACN-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCC1CCCNC1
InChIInChI=1S/C19H23N3O4.ClH/c23-18(21-12-14-4-2-8-20-11-14)13-26-16-6-1-5-15(10-16)22-19(24)17-7-3-9-25-17;/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2,(H,21,23)(H,22,24);1H
InChIKeyMBVMSCMNZGCUIG-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.45
Rot. Bonds7

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

N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119462625) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119462625
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC NameN-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCC1CCCNC1
InChIInChI=1S/C19H23N3O4.ClH/c23-18(21-12-14-4-2-8-20-11-14)13-26-16-6-1-5-15(10-16)22-19(24)17-7-3-9-25-17;/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2,(H,21,23)(H,22,24);1H
InChIKeyMBVMSCMNZGCUIG-UHFFFAOYSA-N
XLogP2.45
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-oxo-2-(2-piperidin-3-ylethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119557618
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
N-[3-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119392955
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
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-[(2-methylpiperidin-4-yl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120601673
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
N-[3-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 119642129
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[3-[2-[3-(furan-2-ylmethoxy)propylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 86930220

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride (CID 119462625) is N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is Cl.O=C(COc1cccc(NC(=O)c2ccco2)c1)NCC1CCCNC1.
What is the InChIKey of N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is MBVMSCMNZGCUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.ClH/c23-18(21-12-14-4-2-8-20-11-14)13-26-16-6-1-5-15(10-16)22-19(24)17-7-3-9-25-17;/h1,3,5-7,9-10,14,20H,2,4,8,11-13H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride?
N-[3-[2-oxo-2-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 2.45, 7 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-(piperidin-3-ylmethylamino)ethoxy]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119462625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).