N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide

C19H22N2O5 — CID 167818858

IUPACN-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2COc3c(OC)cccc3C2=O)CC1
InChIInChI=1S/C19H22N2O5/c1-3-16(22)21-9-7-12(8-10-21)19(24)20-14-11-26-18-13(17(14)23)5-4-6-15(18)25-2/h3-6,12,14H,1,7-11H2,2H3,(H,20,24)
InChIKeyZLAXFDVSACVLJM-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.18
Rot. Bonds4

About N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide

N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 167818858) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID167818858
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2COc3c(OC)cccc3C2=O)CC1
InChIInChI=1S/C19H22N2O5/c1-3-16(22)21-9-7-12(8-10-21)19(24)20-14-11-26-18-13(17(14)23)5-4-6-15(18)25-2/h3-6,12,14H,1,7-11H2,2H3,(H,20,24)
InChIKeyZLAXFDVSACVLJM-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide (CID 167818858) is N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC2COc3c(OC)cccc3C2=O)CC1.
What is the InChIKey of N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is ZLAXFDVSACVLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-16(22)21-9-7-12(8-10-21)19(24)20-14-11-26-18-13(17(14)23)5-4-6-15(18)25-2/h3-6,12,14H,1,7-11H2,2H3,(H,20,24).
What are the key properties of N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide?
N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 167818858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).