N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide

C22H22N2O4 — CID 90595706

IUPACN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1
InChIInChI=1S/C22H22N2O4/c1-27-18-10-12-24(13-11-18)17-8-6-16(7-9-17)23-21(25)19-14-15-4-2-3-5-20(15)28-22(19)26/h2-9,14,18H,10-13H2,1H3,(H,23,25)
InChIKeyFNEPTFQVNFYORI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.66
Rot. Bonds4

About N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide

N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 90595706) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID90595706
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1
InChIInChI=1S/C22H22N2O4/c1-27-18-10-12-24(13-11-18)17-8-6-16(7-9-17)23-21(25)19-14-15-4-2-3-5-20(15)28-22(19)26/h2-9,14,18H,10-13H2,1H3,(H,23,25)
InChIKeyFNEPTFQVNFYORI-UHFFFAOYSA-N
XLogP3.66
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
tert-butyl 4-[4-[(2-oxochromene-3-carbonyl)amino]benzoyl]oxypiperidine-1-carboxylate
CID 51130836
7-(4-tert-butylpiperazin-1-yl)-2-oxo-N-phenylchromene-3-carboxamide
CID 141376588
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3645617
N-(5-morpholin-4-yl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 47020558
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7752429
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-[4-[4-(2-methoxyethyl)-5-oxotetrazol-1-yl]phenyl]-2-oxochromene-3-carboxamide
CID 71791047

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide (CID 90595706) is N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide is COC1CCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is FNEPTFQVNFYORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-18-10-12-24(13-11-18)17-8-6-16(7-9-17)23-21(25)19-14-15-4-2-3-5-20(15)28-22(19)26/h2-9,14,18H,10-13H2,1H3,(H,23,25).
What are the key properties of N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90595706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).