N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide

C25H27N3O4 — CID 86966309

IUPACN-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)C1
InChIInChI=1S/C25H27N3O4/c1-27(25(30)23-14-8-16-32-23)20-11-4-3-10-19(20)24(29)26-18-9-7-15-28(17-18)21-12-5-6-13-22(21)31-2/h3-6,8,10-14,16,18H,7,9,15,17H2,1-2H3,(H,26,29)
InChIKeySKQUGEZNRFWXLS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.96
Rot. Bonds6

About N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide

N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide (PubChem CID 86966309) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
PubChem CID86966309
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)C1
InChIInChI=1S/C25H27N3O4/c1-27(25(30)23-14-8-16-32-23)20-11-4-3-10-19(20)24(29)26-18-9-7-15-28(17-18)21-12-5-6-13-22(21)31-2/h3-6,8,10-14,16,18H,7,9,15,17H2,1-2H3,(H,26,29)
InChIKeySKQUGEZNRFWXLS-UHFFFAOYSA-N
XLogP3.96
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide;hydrochloride
CID 119428571
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
N-methyl-N-[2-[(2-methylpiperidin-4-yl)carbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 120602161
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 86965666
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124741629

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide (CID 86966309) is N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide is COc1ccccc1N1CCCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)C1.
What is the InChIKey of N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
The InChIKey is SKQUGEZNRFWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-27(25(30)23-14-8-16-32-23)20-11-4-3-10-19(20)24(29)26-18-9-7-15-28(17-18)21-12-5-6-13-22(21)31-2/h3-6,8,10-14,16,18H,7,9,15,17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide?
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 86966309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).