N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide

C24H26N2O4 — CID 40849817

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N2O4/c1-29-19-11-9-17(10-12-19)21(26-13-5-2-6-14-26)16-25-23(27)20-15-18-7-3-4-8-22(18)30-24(20)28/h3-4,7-12,15,21H,2,5-6,13-14,16H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyDGKIEZUGTSMSOJ-OAQYLSRUSA-N
MW406.48 g/mol
LogP3.76
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide (PubChem CID 40849817) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
PubChem CID40849817
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26N2O4/c1-29-19-11-9-17(10-12-19)21(26-13-5-2-6-14-26)16-25-23(27)20-15-18-7-3-4-8-22(18)30-24(20)28/h3-4,7-12,15,21H,2,5-6,13-14,16H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyDGKIEZUGTSMSOJ-OAQYLSRUSA-N
XLogP3.76
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.76
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

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N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
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2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
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N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
CID 41411203
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide (CID 40849817) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide is COc1ccc([C@@H](CNC(=O)c2cc3ccccc3oc2=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide?
The InChIKey is DGKIEZUGTSMSOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-19-11-9-17(10-12-19)21(26-13-5-2-6-14-26)16-25-23(27)20-15-18-7-3-4-8-22(18)30-24(20)28/h3-4,7-12,15,21H,2,5-6,13-14,16H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 40849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).