1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide

C23H22N2O5 — CID 26462498

IUPAC1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(=O)oc12
InChIInChI=1S/C23H22N2O5/c1-29-19-9-5-6-16-14-18(23(28)30-20(16)19)22(27)25-12-10-15(11-13-25)21(26)24-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,26)
InChIKeyHASRIDHDVCBXKM-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.29
Rot. Bonds4

About 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide

1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 26462498) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
PubChem CID26462498
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1cccc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(=O)oc12
InChIInChI=1S/C23H22N2O5/c1-29-19-9-5-6-16-14-18(23(28)30-20(16)19)22(27)25-12-10-15(11-13-25)21(26)24-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,26)
InChIKeyHASRIDHDVCBXKM-UHFFFAOYSA-N
XLogP3.29
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.29
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-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
8-methoxy-3-(7-phenyl-1,4-thiazepane-4-carbonyl)chromen-2-one
CID 72720367
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
4-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 55638882
4-N-(3-hydroxy-4-methoxyphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478742
8-methoxy-3-(4-pyridazin-3-yloxypiperidine-1-carbonyl)chromen-2-one
CID 71799381
8-methoxy-3-[(3R)-3-(triazol-1-yl)pyrrolidine-1-carbonyl]chromen-2-one
CID 99987932
8-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]chromen-2-one
CID 32903287
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
3-(2,6-dimethylpiperidine-1-carbonyl)-8-methoxychromen-2-one
CID 3137792
3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 1070822

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide (CID 26462498) is 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide is COc1cccc2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c(=O)oc12.
What is the InChIKey of 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is HASRIDHDVCBXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-29-19-9-5-6-16-14-18(23(28)30-20(16)19)22(27)25-12-10-15(11-13-25)21(26)24-17-7-3-2-4-8-17/h2-9,14-15H,10-13H2,1H3,(H,24,26).
What are the key properties of 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide?
1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26462498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).