4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one

C24H28N2O4 — CID 135259640

IUPAC4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OCCN1CCCCC1
InChIInChI=1S/C24H28N2O4/c1-25(20-17-24(27)30-21-9-5-4-8-19(20)21)18-10-11-22(28-2)23(16-18)29-15-14-26-12-6-3-7-13-26/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3
InChIKeyFWFYSHAVFPQMJO-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.43
Rot. Bonds7

About 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one

4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one (PubChem CID 135259640) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one.

Molecular Properties

Compound Name4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
PubChem CID135259640
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
SMILESCOc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OCCN1CCCCC1
InChIInChI=1S/C24H28N2O4/c1-25(20-17-24(27)30-21-9-5-4-8-19(20)21)18-10-11-22(28-2)23(16-18)29-15-14-26-12-6-3-7-13-26/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3
InChIKeyFWFYSHAVFPQMJO-UHFFFAOYSA-N
XLogP4.43
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-[4-methoxy-N-methyl-3-(11-oxododecoxy)anilino]chromen-2-one
CID 160882643
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
CID 171713983
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
N-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]dibenzofuran-2-carboxamide;hydrochloride
CID 44535104
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
4-[3-(2-amino-3-hydroxybutanoyl)-4-methoxy-N-methylanilino]chromen-2-one
CID 175576953
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]heptanamide
CID 135259614
N-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl]pent-4-enamide
CID 135265412
1,6-bis(2-piperidin-1-ylethoxy)xanthen-9-one
CID 54365368
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one?
The IUPAC name of 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one (CID 135259640) is 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one.
What is the SMILES notation for 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one?
The canonical SMILES for 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one is COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OCCN1CCCCC1.
What is the InChIKey of 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one?
The InChIKey is FWFYSHAVFPQMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-25(20-17-24(27)30-21-9-5-4-8-19(20)21)18-10-11-22(28-2)23(16-18)29-15-14-26-12-6-3-7-13-26/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3.
What are the key properties of 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one?
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one has a molecular weight of 408.50 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one is sourced from PubChem (CID 135259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).