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

C22H22N2O4 — CID 121141467

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)C1
InChIInChI=1S/C22H22N2O4/c1-27-18-6-4-12-24(14-18)17-10-8-16(9-11-17)23-21(25)19-13-15-5-2-3-7-20(15)28-22(19)26/h2-3,5,7-11,13,18H,4,6,12,14H2,1H3,(H,23,25)
InChIKeyYHKBXROOGCKMLX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.66
Rot. Bonds4

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

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 121141467) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID121141467
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)C1
InChIInChI=1S/C22H22N2O4/c1-27-18-6-4-12-24(14-18)17-10-8-16(9-11-17)23-21(25)19-13-15-5-2-3-7-20(15)28-22(19)26/h2-3,5,7-11,13,18H,4,6,12,14H2,1H3,(H,23,25)
InChIKeyYHKBXROOGCKMLX-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-(4-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 90595706
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 121141445
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide (CID 121141467) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide is COC1CCCN(c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is YHKBXROOGCKMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-27-18-6-4-12-24(14-18)17-10-8-16(9-11-17)23-21(25)19-13-15-5-2-3-7-20(15)28-22(19)26/h2-3,5,7-11,13,18H,4,6,12,14H2,1H3,(H,23,25).
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-(3-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-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121141467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).