N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C18H21N3O4 — CID 19415957

IUPACN-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C18H21N3O4/c1-13-11-14(21(23)24)5-7-16(13)19-18(22)17-8-6-15(25-17)12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,22)
InChIKeyAFTGRRGTVMOCMT-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.73
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19415957) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19415957
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(CN2CCCCC2)o1
InChIInChI=1S/C18H21N3O4/c1-13-11-14(21(23)24)5-7-16(13)19-18(22)17-8-6-15(25-17)12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,22)
InChIKeyAFTGRRGTVMOCMT-UHFFFAOYSA-N
XLogP3.73
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-[2-(ethylamino)-4-methylphenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 136559576
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(4-bromo-2-fluorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415916
N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416008
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
N-[2-(difluoromethoxy)-4-methylphenyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416022
N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
CID 19062952
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215
N-(2-methyl-4-nitrophenyl)-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19456660

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19415957) is N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(CN2CCCCC2)o1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is AFTGRRGTVMOCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-11-14(21(23)24)5-7-16(13)19-18(22)17-8-6-15(25-17)12-20-9-3-2-4-10-20/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,22).
What are the key properties of N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide?
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19415957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).