7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H34N4O — CID 45206942

IUPAC7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1c(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cnn1C
InChIInChI=1S/C21H34N4O/c1-17-19(13-22-23(17)2)15-24-12-10-21(16-24)9-6-11-25(20(21)26)14-18-7-4-3-5-8-18/h13,18H,3-12,14-16H2,1-2H3
InChIKeyYXCPQWARIMYKMM-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.12
Rot. Bonds4

About 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45206942) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45206942
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1c(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cnn1C
InChIInChI=1S/C21H34N4O/c1-17-19(13-22-23(17)2)15-24-12-10-21(16-24)9-6-11-25(20(21)26)14-18-7-4-3-5-8-18/h13,18H,3-12,14-16H2,1-2H3
InChIKeyYXCPQWARIMYKMM-UHFFFAOYSA-N
XLogP3.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24790909
1-(cyclohexylmethyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817829
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203994
7-(2-methoxyethyl)-2-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72884884
(1S,11R)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199417
1-[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 42147139
4-(cyclohexylmethyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-5-one
CID 42544404
(6S)-10-(cyclopropylmethyl)-1-methyl-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97189004
9-(5-methyl-1-propylpyrazole-4-carbonyl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97275408
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 164629294
[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoropiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 164634702
(3S)-N-cyclopentyl-8-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methyl-1-oxo-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 164638709

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45206942) is 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1c(CN2CCC3(CCCN(CC4CCCCC4)C3=O)C2)cnn1C.
What is the InChIKey of 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is YXCPQWARIMYKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17-19(13-22-23(17)2)15-24-12-10-21(16-24)9-6-11-25(20(21)26)14-18-7-4-3-5-8-18/h13,18H,3-12,14-16H2,1-2H3.
What are the key properties of 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.53 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45206942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).