N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

C19H27Cl2N3O2 — CID 154895193

IUPACN-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCc1c(CNC(=O)C2CC3(CCNCC3)CN2)oc2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13-14-4-2-3-5-16(14)24-17(13)11-21-18(23)15-10-19(12-22-15)6-8-20-9-7-19;;/h2-5,15,20,22H,6-12H2,1H3,(H,21,23);2*1H
InChIKeyPUZHKOJCYSYXKD-UHFFFAOYSA-N
MW400.35 g/mol
LogP2.93
Rot. Bonds3

About N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride

N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (PubChem CID 154895193) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
PubChem CID154895193
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
SMILESCc1c(CNC(=O)C2CC3(CCNCC3)CN2)oc2ccccc12.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13-14-4-2-3-5-16(14)24-17(13)11-21-18(23)15-10-19(12-22-15)6-8-20-9-7-19;;/h2-5,15,20,22H,6-12H2,1H3,(H,21,23);2*1H
InChIKeyPUZHKOJCYSYXKD-UHFFFAOYSA-N
XLogP2.93
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride (CID 154895193) is N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is Cc1c(CNC(=O)C2CC3(CCNCC3)CN2)oc2ccccc12.Cl.Cl.
What is the InChIKey of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
The InChIKey is PUZHKOJCYSYXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-13-14-4-2-3-5-16(14)24-17(13)11-21-18(23)15-10-19(12-22-15)6-8-20-9-7-19;;/h2-5,15,20,22H,6-12H2,1H3,(H,21,23);2*1H.
What are the key properties of N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride?
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).