(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

C24H23NO6 — CID 8526949

IUPAC(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc(O)ccc23)(c2ccccc2)CC1
InChIInChI=1S/C24H23NO6/c1-16(26)25-11-9-24(10-12-25,18-5-3-2-4-6-18)23(29)30-15-17-13-22(28)31-21-14-19(27)7-8-20(17)21/h2-8,13-14,27H,9-12,15H2,1H3
InChIKeyNMTUWJULOCCPJM-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.12
Rot. Bonds4

About (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 8526949) has the molecular formula C24H23NO6 and a molecular weight of 421.45 g/mol. Its IUPAC name is (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID8526949
Molecular FormulaC24H23NO6
Molecular Weight421.45 g/mol
Exact Mass421.15
IUPAC Name(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc(O)ccc23)(c2ccccc2)CC1
InChIInChI=1S/C24H23NO6/c1-16(26)25-11-9-24(10-12-25,18-5-3-2-4-6-18)23(29)30-15-17-13-22(28)31-21-14-19(27)7-8-20(17)21/h2-8,13-14,27H,9-12,15H2,1H3
InChIKeyNMTUWJULOCCPJM-UHFFFAOYSA-N
XLogP3.12
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-Hydroxy-3-phenyl-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 9804053
1-(2-((4-ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1776176
7-Hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 10275072
3-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
CID 16746329
7-Hydroxy-3-phenyl-4-[3-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
CID 44342704
4-[(dimethylaminocarbonyl)methyl]-7-benzyloxy-2H-chromen-2-one
CID 45483647
3-[4-[Benzyl(methyl)amino]butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427205
Ethyl 1-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylate
CID 1109013
1-[2-[(4-Methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-phenyl-4-piperidinecarboxylic acid
CID 1745223
1-(2-((6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1767909
1-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxamide
CID 1768173
1-(2-((3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1769436

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 8526949) is (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCc2cc(=O)oc3cc(O)ccc23)(c2ccccc2)CC1.
What is the InChIKey of (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is NMTUWJULOCCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6/c1-16(26)25-11-9-24(10-12-25,18-5-3-2-4-6-18)23(29)30-15-17-13-22(28)31-21-14-19(27)7-8-20(17)21/h2-8,13-14,27H,9-12,15H2,1H3.
What are the key properties of (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 8526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).