7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one

C18H23NO3 — CID 5322247

IUPAC7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C18H23NO3/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19/h7-8,11,20H,2-6,9-10,12H2,1H3
InChIKeyYXZGUTMEWULFJB-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.44
Rot. Bonds4

About 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one

7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one (PubChem CID 5322247) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one
PubChem CID5322247
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12
InChIInChI=1S/C18H23NO3/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19/h7-8,11,20H,2-6,9-10,12H2,1H3
InChIKeyYXZGUTMEWULFJB-UHFFFAOYSA-N
XLogP3.44
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 5417092
8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one
CID 5350076
(1S,9R)-11-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 125429190
7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
CID 89426551
1-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperidine-4-carboxylic acid
CID 132585294
7-hydroxy-2-methyl-3-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361809
(2S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]propanoate
CID 7081826
4-(6-fluoro-2-oxochromen-3-yl)-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-2-one
CID 161102292
4-ethyl-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one
CID 6953918
8-(3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-ylmethyl)-7-hydroxy-4-propylchromen-2-one
CID 135637995
2-[4-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]piperazin-1-yl]acetic acid
CID 138319844
(2S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylamino]-3-methylbutanoic acid
CID 5417027

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one?
The IUPAC name of 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one (CID 5322247) is 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one.
What is the SMILES notation for 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one?
The canonical SMILES for 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one is CCCc1cc(=O)oc2c(CN3CCCCC3)c(O)ccc12.
What is the InChIKey of 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one?
The InChIKey is YXZGUTMEWULFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19/h7-8,11,20H,2-6,9-10,12H2,1H3.
What are the key properties of 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one?
7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-one is sourced from PubChem (CID 5322247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).