7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride

C20H28Cl2N2O3 — CID 20502647

IUPAC7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1
InChIInChI=1S/C20H26N2O3.2ClH/c21-14-7-10-22(11-8-14)9-2-12-24-15-5-6-17-16-3-1-4-18(16)20(23)25-19(17)13-15;;/h5-6,13-14H,1-4,7-12,21H2;2*1H
InChIKeyGUCKPAGCTRWKRK-UHFFFAOYSA-N
MW415.36 g/mol
LogP3.32
Rot. Bonds5

About 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride

7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride (PubChem CID 20502647) has the molecular formula C20H28Cl2N2O3 and a molecular weight of 415.36 g/mol. Its IUPAC name is 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride.

Molecular Properties

Compound Name7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride
PubChem CID20502647
Molecular FormulaC20H28Cl2N2O3
Molecular Weight415.36 g/mol
Exact Mass414.15
IUPAC Name7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1
InChIInChI=1S/C20H26N2O3.2ClH/c21-14-7-10-22(11-8-14)9-2-12-24-15-5-6-17-16-3-1-4-18(16)20(23)25-19(17)13-15;;/h5-6,13-14H,1-4,7-12,21H2;2*1H
InChIKeyGUCKPAGCTRWKRK-UHFFFAOYSA-N
XLogP3.32
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride with MolForge

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Related Compounds

3-[4-(4-benzylpiperidin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one;hydrochloride
CID 90357370
2-amino-N-[1-[3-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propyl]piperidin-4-yl]benzamide
CID 20502650
3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427079
4-fluoro-N-[1-[3-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propyl]piperidin-4-yl]benzamide;hydrochloride
CID 20502651
3-[4-(4-benzylpiperazin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427207
3-[4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one;dihydrochloride
CID 90357172
7-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 13005005
N-(3-morpholin-4-ylpropyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 4908914
4-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]butanoic acid
CID 20991440
3-[3-(4-benzylpiperazin-1-yl)propoxy]benzo[c]chromen-6-one;dihydrochloride
CID 90357517
3-[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]ethoxy]benzoic acid
CID 20985941
(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) cyclopentanecarboxylate
CID 18266819

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride?
The IUPAC name of 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride (CID 20502647) is 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride.
What is the SMILES notation for 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride?
The canonical SMILES for 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride is Cl.Cl.NC1CCN(CCCOc2ccc3c4c(c(=O)oc3c2)CCC4)CC1.
What is the InChIKey of 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride?
The InChIKey is GUCKPAGCTRWKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.2ClH/c21-14-7-10-22(11-8-14)9-2-12-24-15-5-6-17-16-3-1-4-18(16)20(23)25-19(17)13-15;;/h5-6,13-14H,1-4,7-12,21H2;2*1H.
What are the key properties of 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride?
7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride has a molecular weight of 415.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-aminopiperidin-1-yl)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one;dihydrochloride is sourced from PubChem (CID 20502647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).