(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C23H33N3O2 — CID 97156784

IUPAC(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1ccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C23H33N3O2/c1-24(2)20-8-6-18(7-9-20)14-22(28)25-13-3-11-23(16-25)12-10-21(27)26(17-23)15-19-4-5-19/h6-9,19H,3-5,10-17H2,1-2H3/t23-/m1/s1
InChIKeyJQUHRAKRZJNQEK-HSZRJFAPSA-N
MW383.54 g/mol
LogP2.94
Rot. Bonds5

About (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97156784) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97156784
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)c1ccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1
InChIInChI=1S/C23H33N3O2/c1-24(2)20-8-6-18(7-9-20)14-22(28)25-13-3-11-23(16-25)12-10-21(27)26(17-23)15-19-4-5-19/h6-9,19H,3-5,10-17H2,1-2H3/t23-/m1/s1
InChIKeyJQUHRAKRZJNQEK-HSZRJFAPSA-N
XLogP2.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97120619
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
2-(2-hydroxyethyl)-8-[2-[4-(hydroxymethyl)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70756626
2-(cyclopropylmethyl)-8-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938926
(6R)-2-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97204156
8-[2-(4-fluorophenyl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729809
9-[2-(4-methylphenyl)acetyl]-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97113040
(3R)-1-[2-[4-(dimethylamino)phenyl]acetyl]-3-methylpiperidine-3-carbonitrile
CID 99974497
2-(cyclopropylmethyl)-9-[2-(dimethylamino)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894680

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97156784) is (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(C)c1ccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)cc1.
What is the InChIKey of (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JQUHRAKRZJNQEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-24(2)20-8-6-18(7-9-20)14-22(28)25-13-3-11-23(16-25)12-10-21(27)26(17-23)15-19-4-5-19/h6-9,19H,3-5,10-17H2,1-2H3/t23-/m1/s1.
What are the key properties of (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 383.54 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).