5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

C23H33N3O2 — CID 137407714

IUPAC5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H33N3O2/c1-24(2)23(19-7-4-3-5-8-19)14-21(15-23)16-25(17-22(28)11-6-12-22)20(27)26(21)13-18-9-10-18/h3-5,7-8,18,28H,6,9-17H2,1-2H3
InChIKeyBRQNWGZLHBFKND-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.04
Rot. Bonds6

About 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one

5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407714) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407714
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCN(C)C1(c2ccccc2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1
InChIInChI=1S/C23H33N3O2/c1-24(2)23(19-7-4-3-5-8-19)14-21(15-23)16-25(17-22(28)11-6-12-22)20(27)26(21)13-18-9-10-18/h3-5,7-8,18,28H,6,9-17H2,1-2H3
InChIKeyBRQNWGZLHBFKND-UHFFFAOYSA-N
XLogP3.04
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

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CID 137407637
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CID 130200570
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US10793528, Example SC_5002
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US10829480, Example SC_2174
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US10829480, Example SC_2124
CID 130202491

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 137407714) is 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is CN(C)C1(c2ccccc2)CC2(CN(CC3(O)CCC3)C(=O)N2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is BRQNWGZLHBFKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-24(2)23(19-7-4-3-5-8-19)14-21(15-23)16-25(17-22(28)11-6-12-22)20(27)26(21)13-18-9-10-18/h3-5,7-8,18,28H,6,9-17H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one?
5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 383.54 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(dimethylamino)-7-[(1-hydroxycyclobutyl)methyl]-2-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).