N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

C19H22N4O6 — CID 3220832

IUPACN-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(NC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O6/c1-28-14-4-5-15(16(11-14)23(26)27)21-18(24)12-22-8-6-13(7-9-22)20-19(25)17-3-2-10-29-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,25)(H,21,24)
InChIKeyYKOWKDRYDUSSIE-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.03
Rot. Bonds7

About N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 3220832) has the molecular formula C19H22N4O6 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID3220832
Molecular FormulaC19H22N4O6
Molecular Weight402.41 g/mol
Exact Mass402.15
IUPAC NameN-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)CN2CCC(NC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O6/c1-28-14-4-5-15(16(11-14)23(26)27)21-18(24)12-22-8-6-13(7-9-22)20-19(25)17-3-2-10-29-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,25)(H,21,24)
InChIKeyYKOWKDRYDUSSIE-UHFFFAOYSA-N
XLogP2.03
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide (CID 3220832) is N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is COc1ccc(NC(=O)CN2CCC(NC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is YKOWKDRYDUSSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6/c1-28-14-4-5-15(16(11-14)23(26)27)21-18(24)12-22-8-6-13(7-9-22)20-19(25)17-3-2-10-29-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,25)(H,21,24).
What are the key properties of N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 3220832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).