2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide

C21H31N3O — CID 136512159

IUPAC2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CCCN(Cc3ccccc3)C2)C1)C1CC1
InChIInChI=1S/C21H31N3O/c1-22(19-8-9-19)20(25)15-24-13-11-21(17-24)10-5-12-23(16-21)14-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3
InChIKeyGSLFVFQEIORKDJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.60
Rot. Bonds5

About 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide

2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 136512159) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID136512159
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CN1CCC2(CCCN(Cc3ccccc3)C2)C1)C1CC1
InChIInChI=1S/C21H31N3O/c1-22(19-8-9-19)20(25)15-24-13-11-21(17-24)10-5-12-23(16-21)14-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3
InChIKeyGSLFVFQEIORKDJ-UHFFFAOYSA-N
XLogP2.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
(2S)-2-[[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 166206670
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
[(6S)-8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl]-(4-hydroxycyclohexyl)methanone
CID 98287421
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
N-(1-benzylpiperidin-3-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
CID 136511616
(2R)-2-[[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)acetyl]amino]-3-phenylpropanoic acid;2,2,2-trifluoroacetic acid
CID 166206668
N,N-dimethyl-2-[3-oxo-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 70714257
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325

Frequently Asked Questions

What is the IUPAC name of 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide (CID 136512159) is 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)CN1CCC2(CCCN(Cc3ccccc3)C2)C1)C1CC1.
What is the InChIKey of 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is GSLFVFQEIORKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-22(19-8-9-19)20(25)15-24-13-11-21(17-24)10-5-12-23(16-21)14-18-6-3-2-4-7-18/h2-4,6-7,19H,5,8-17H2,1H3.
What are the key properties of 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide?
2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 341.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 136512159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).