[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone

C20H26N4O — CID 97393382

IUPAC[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C20H26N4O/c1-22-14-18(21-16-22)19(25)24-12-6-10-20(24)9-5-11-23(15-20)13-17-7-3-2-4-8-17/h2-4,7-8,14,16H,5-6,9-13,15H2,1H3/t20-/m1/s1
InChIKeyJBPRACVMAXKYGQ-HXUWFJFHSA-N
MW338.45 g/mol
LogP2.69
Rot. Bonds3

About [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone

[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 97393382) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID97393382
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C20H26N4O/c1-22-14-18(21-16-22)19(25)24-12-6-10-20(24)9-5-11-23(15-20)13-17-7-3-2-4-8-17/h2-4,7-8,14,16H,5-6,9-13,15H2,1H3/t20-/m1/s1
InChIKeyJBPRACVMAXKYGQ-HXUWFJFHSA-N
XLogP2.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
[9-(naphthalen-2-ylmethyl)-1,9-diazaspiro[4.5]decan-1-yl]-(4-phenylphenyl)methanone
CID 171347516
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
(6R)-8-benzyl-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 95043156
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone (CID 97393382) is [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCC[C@@]23CCCN(Cc2ccccc2)C3)c1.
What is the InChIKey of [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is JBPRACVMAXKYGQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-14-18(21-16-22)19(25)24-12-6-10-20(24)9-5-11-23(15-20)13-17-7-3-2-4-8-17/h2-4,7-8,14,16H,5-6,9-13,15H2,1H3/t20-/m1/s1.
What are the key properties of [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone?
[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 97393382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).