(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

C22H31N3O2 — CID 97120619

IUPAC(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-23(2)19-8-6-17(7-9-19)14-20(26)25-13-11-22(16-25)10-3-12-24(21(22)27)15-18-4-5-18/h6-9,18H,3-5,10-16H2,1-2H3/t22-/m1/s1
InChIKeyJONYRGHQIAXCRL-JOCHJYFZSA-N
MW369.51 g/mol
LogP2.55
Rot. Bonds5

About (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97120619) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97120619
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCN(C)c1ccc(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1
InChIInChI=1S/C22H31N3O2/c1-23(2)19-8-6-17(7-9-19)14-20(26)25-13-11-22(16-25)10-3-12-24(21(22)27)15-18-4-5-18/h6-9,18H,3-5,10-16H2,1-2H3/t22-/m1/s1
InChIKeyJONYRGHQIAXCRL-JOCHJYFZSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.55
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-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
7-(cyclobutylmethyl)-2-[2-(N-methylanilino)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72903089
(5S)-7-(cyclopropylmethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97153213
7-(cyclopropylmethyl)-2-(3-ethoxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922914
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
(5S)-7-(cyclobutylmethyl)-2-(3-hydroxypropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127422
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301
1-[2-[(5S)-7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 97150845
(5S)-7-(cyclopropylmethyl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97125382
7-(cyclobutylmethyl)-2-[2-[2-methoxyethyl(methyl)amino]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72939680
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97120619) is (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is CN(C)c1ccc(CC(=O)N2CC[C@]3(CCCN(CC4CC4)C3=O)C2)cc1.
What is the InChIKey of (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JONYRGHQIAXCRL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-23(2)19-8-6-17(7-9-19)14-20(26)25-13-11-22(16-25)10-3-12-24(21(22)27)15-18-4-5-18/h6-9,18H,3-5,10-16H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 369.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(cyclopropylmethyl)-2-[2-[4-(dimethylamino)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97120619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).