2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide

C22H28N2O4 — CID 91958035

IUPAC2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
SMILESO=C(NCC1(CN2CCCCC2)CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H28N2O4/c25-20(18-14-17-6-2-3-7-19(17)28-21(18)26)23-15-22(8-12-27-13-9-22)16-24-10-4-1-5-11-24/h2-3,6-7,14H,1,4-5,8-13,15-16H2,(H,23,25)
InChIKeyODWDXHLWIYNAPE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.81
Rot. Bonds5

About 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide

2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide (PubChem CID 91958035) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
PubChem CID91958035
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
SMILESO=C(NCC1(CN2CCCCC2)CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C22H28N2O4/c25-20(18-14-17-6-2-3-7-19(17)28-21(18)26)23-15-22(8-12-27-13-9-22)16-24-10-4-1-5-11-24/h2-3,6-7,14H,1,4-5,8-13,15-16H2,(H,23,25)
InChIKeyODWDXHLWIYNAPE-UHFFFAOYSA-N
XLogP2.81
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 91957980
2-methyl-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]quinoline-3-carboxamide
CID 91957828
2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
CID 42145626
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
3-(3-piperidin-1-ylpropanoyl)chromen-2-one
CID 25156895
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
CID 20973227
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
6-methyl-2-piperidin-1-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957643
5-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 91957682

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide (CID 91958035) is 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide is O=C(NCC1(CN2CCCCC2)CCOCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide?
The InChIKey is ODWDXHLWIYNAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-20(18-14-17-6-2-3-7-19(17)28-21(18)26)23-15-22(8-12-27-13-9-22)16-24-10-4-1-5-11-24/h2-3,6-7,14H,1,4-5,8-13,15-16H2,(H,23,25).
What are the key properties of 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide?
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 91958035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).