2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride

C24H34ClNO3 — CID 67691234

IUPAC2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C24H33NO3.ClH/c26-22-18-24(19-9-8-10-19)28-23-12-11-20(17-21(22)23)27-16-7-2-1-4-13-25-14-5-3-6-15-25;/h11-12,17-19H,1-10,13-16H2;1H
InChIKeyUBDBGXLRYOARNM-UHFFFAOYSA-N
MW419.99 g/mol
LogP5.91
Rot. Bonds9

About 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride

2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride (PubChem CID 67691234) has the molecular formula C24H34ClNO3 and a molecular weight of 419.99 g/mol. Its IUPAC name is 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride
PubChem CID67691234
Molecular FormulaC24H34ClNO3
Molecular Weight419.99 g/mol
Exact Mass419.22
IUPAC Name2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride
SMILESCl.O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12
InChIInChI=1S/C24H33NO3.ClH/c26-22-18-24(19-9-8-10-19)28-23-12-11-20(17-21(22)23)27-16-7-2-1-4-13-25-14-5-3-6-15-25;/h11-12,17-19H,1-10,13-16H2;1H
InChIKeyUBDBGXLRYOARNM-UHFFFAOYSA-N
XLogP5.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.99
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(6-piperidin-1-ylhexoxy)-2-pyridin-4-ylchromen-4-one
CID 14983050
2-cyclohexyl-6-(6-morpholin-2-ylhexoxy)chromen-4-one
CID 18959681
6-chloro-2-(6-piperidin-1-ylhexoxy)xanthen-9-one
CID 162675540
2,6-bis(3-piperidin-1-ylpropoxy)xanthen-9-one
CID 57439571
6-(5-morpholin-4-ylpentoxy)chromen-4-one
CID 162664969
1-[3-[7-[3-(azetidin-1-yl)propoxy]dibenzofuran-2-yl]oxypropyl]azetidine
CID 57439391
2-(3,4-dimethoxyphenyl)-7-(8-pyrrolidin-1-yloctoxy)chromen-4-one
CID 127036654
3-[1-[6-(4-oxo-2-phenylchromen-6-yl)oxyhexyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 14982983
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
3-[4-(4-benzylpiperidin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one;hydrochloride
CID 90357370
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride?
The IUPAC name of 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride (CID 67691234) is 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride?
The canonical SMILES for 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride is Cl.O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCCCC3)cc12.
What is the InChIKey of 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride?
The InChIKey is UBDBGXLRYOARNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3.ClH/c26-22-18-24(19-9-8-10-19)28-23-12-11-20(17-21(22)23)27-16-7-2-1-4-13-25-14-5-3-6-15-25;/h11-12,17-19H,1-10,13-16H2;1H.
What are the key properties of 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride?
2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride has a molecular weight of 419.99 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-(6-piperidin-1-ylhexoxy)chromen-4-one;hydrochloride is sourced from PubChem (CID 67691234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).