N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride

C18H22ClN3O3 — CID 119428571

IUPACN-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-21(18(23)16-9-5-11-24-16)15-8-3-2-7-14(15)17(22)20-13-6-4-10-19-12-13;/h2-3,5,7-9,11,13,19H,4,6,10,12H2,1H3,(H,20,22);1H
InChIKeyBBUFCNRPXQJTPP-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride

N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119428571) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119428571
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccco1)c1ccccc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C18H21N3O3.ClH/c1-21(18(23)16-9-5-11-24-16)15-8-3-2-7-14(15)17(22)20-13-6-4-10-19-12-13;/h2-3,5,7-9,11,13,19H,4,6,10,12H2,1H3,(H,20,22);1H
InChIKeyBBUFCNRPXQJTPP-UHFFFAOYSA-N
XLogP2.46
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
N-[2-(1,4-diazepane-1-carbonyl)phenyl]-N-methylfuran-2-carboxamide
CID 119418147
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride (CID 119428571) is N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride is CN(C(=O)c1ccco1)c1ccccc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is BBUFCNRPXQJTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c1-21(18(23)16-9-5-11-24-16)15-8-3-2-7-14(15)17(22)20-13-6-4-10-19-12-13;/h2-3,5,7-9,11,13,19H,4,6,10,12H2,1H3,(H,20,22);1H.
What are the key properties of N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride?
N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119428571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).