1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide

C22H28N2O5 — CID 42569303

IUPAC1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCC(C(N)=O)CC3)cc12
InChIInChI=1S/C22H28N2O5/c1-13(2)28-18-12-19-17(14(3)10-21(26)29-19)11-16(18)4-5-20(25)24-8-6-15(7-9-24)22(23)27/h10-13,15H,4-9H2,1-3H3,(H2,23,27)
InChIKeyAJKZEMQBPXXTIA-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.55
Rot. Bonds6

About 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide

1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 42569303) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide
PubChem CID42569303
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCC(C(N)=O)CC3)cc12
InChIInChI=1S/C22H28N2O5/c1-13(2)28-18-12-19-17(14(3)10-21(26)29-19)11-16(18)4-5-20(25)24-8-6-15(7-9-24)22(23)27/h10-13,15H,4-9H2,1-3H3,(H2,23,27)
InChIKeyAJKZEMQBPXXTIA-UHFFFAOYSA-N
XLogP2.55
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide (CID 42569303) is 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide is Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCC(C(N)=O)CC3)cc12.
What is the InChIKey of 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is AJKZEMQBPXXTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-13(2)28-18-12-19-17(14(3)10-21(26)29-19)11-16(18)4-5-20(25)24-8-6-15(7-9-24)22(23)27/h10-13,15H,4-9H2,1-3H3,(H2,23,27).
What are the key properties of 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide?
1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2-oxo-7-propan-2-yloxychromen-6-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 42569303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).