2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide

C23H24N2O3 — CID 45195643

IUPAC2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H24N2O3/c26-22(20-15-18-9-4-5-11-21(18)28-23(20)27)24-19-10-6-13-25(16-19)14-12-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,24,26)
InChIKeyLMRWELLROFQSET-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.23
Rot. Bonds5

About 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide

2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide (PubChem CID 45195643) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
PubChem CID45195643
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)c1cc2ccccc2oc1=O
InChIInChI=1S/C23H24N2O3/c26-22(20-15-18-9-4-5-11-21(18)28-23(20)27)24-19-10-6-13-25(16-19)14-12-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,24,26)
InChIKeyLMRWELLROFQSET-UHFFFAOYSA-N
XLogP3.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide (CID 45195643) is 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide is O=C(NC1CCCN(CCc2ccccc2)C1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide?
The InChIKey is LMRWELLROFQSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-22(20-15-18-9-4-5-11-21(18)28-23(20)27)24-19-10-6-13-25(16-19)14-12-17-7-2-1-3-8-17/h1-5,7-9,11,15,19H,6,10,12-14,16H2,(H,24,26).
What are the key properties of 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide?
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide is sourced from PubChem (CID 45195643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).