2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H31N3O2 — CID 72894680

IUPAC2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1ccccc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C22H31N3O2/c1-23(2)19-6-4-3-5-18(19)21(27)24-13-11-22(12-14-24)10-9-20(26)25(16-22)15-17-7-8-17/h3-6,17H,7-16H2,1-2H3
InChIKeyKONOJFIAORNNOG-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.01
Rot. Bonds4

About 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72894680) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72894680
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1ccccc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1
InChIInChI=1S/C22H31N3O2/c1-23(2)19-6-4-3-5-18(19)21(27)24-13-11-22(12-14-24)10-9-20(26)25(16-22)15-17-7-8-17/h3-6,17H,7-16H2,1-2H3
InChIKeyKONOJFIAORNNOG-UHFFFAOYSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 72894680) is 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is CN(C)c1ccccc1C(=O)N1CCC2(CCC(=O)N(CC3CC3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KONOJFIAORNNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23(2)19-6-4-3-5-18(19)21(27)24-13-11-22(12-14-24)10-9-20(26)25(16-22)15-17-7-8-17/h3-6,17H,7-16H2,1-2H3.
What are the key properties of 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 369.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72894680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).