1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide

C19H24N2O5 — CID 162516434

IUPAC1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(OCC(O)CN3CCC(C(N)=O)CC3)ccc12
InChIInChI=1S/C19H24N2O5/c1-12-8-18(23)26-17-9-15(2-3-16(12)17)25-11-14(22)10-21-6-4-13(5-7-21)19(20)24/h2-3,8-9,13-14,22H,4-7,10-11H2,1H3,(H2,20,24)
InChIKeyKMAXDIQJDWHUII-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide

1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide (PubChem CID 162516434) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide
PubChem CID162516434
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide
SMILESCc1cc(=O)oc2cc(OCC(O)CN3CCC(C(N)=O)CC3)ccc12
InChIInChI=1S/C19H24N2O5/c1-12-8-18(23)26-17-9-15(2-3-16(12)17)25-11-14(22)10-21-6-4-13(5-7-21)19(20)24/h2-3,8-9,13-14,22H,4-7,10-11H2,1H3,(H2,20,24)
InChIKeyKMAXDIQJDWHUII-UHFFFAOYSA-N
XLogP1.04
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide (CID 162516434) is 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide is Cc1cc(=O)oc2cc(OCC(O)CN3CCC(C(N)=O)CC3)ccc12.
What is the InChIKey of 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide?
The InChIKey is KMAXDIQJDWHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-12-8-18(23)26-17-9-15(2-3-16(12)17)25-11-14(22)10-21-6-4-13(5-7-21)19(20)24/h2-3,8-9,13-14,22H,4-7,10-11H2,1H3,(H2,20,24).
What are the key properties of 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide?
1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]piperidine-4-carboxamide is sourced from PubChem (CID 162516434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).