N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

C19H24ClN3O3 — CID 120602161

IUPACN-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CCN1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-13-12-14(9-10-20-13)21-18(23)15-6-3-4-7-16(15)22(2)19(24)17-8-5-11-25-17;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H
InChIKeyDECKWUKCQOXJCY-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.85
Rot. Bonds4

About N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride

N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 120602161) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID120602161
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC NameN-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CCN1.Cl
InChIInChI=1S/C19H23N3O3.ClH/c1-13-12-14(9-10-20-13)21-18(23)15-6-3-4-7-16(15)22(2)19(24)17-8-5-11-25-17;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H
InChIKeyDECKWUKCQOXJCY-UHFFFAOYSA-N
XLogP2.85
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 120947205
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-[2-[(2-amino-1-cyclohexylethyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119591706
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309
N-[2-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 56783808
N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 119624931
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-methylpiperidin-4-yl)-2-prop-2-enoxybenzamide;hydrochloride
CID 120599440
N-[2-[[(2R)-2-(ethylamino)propyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide;hydrochloride
CID 120653478

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride (CID 120602161) is N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is CC1CC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CCN1.Cl.
What is the InChIKey of N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is DECKWUKCQOXJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c1-13-12-14(9-10-20-13)21-18(23)15-6-3-4-7-16(15)22(2)19(24)17-8-5-11-25-17;/h3-8,11,13-14,20H,9-10,12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride?
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.85, 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-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120602161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).