2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane

C25H38N4 — CID 45190723

IUPAC2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
SMILESCCCn1cc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)c(C)n1
InChIInChI=1S/C25H38N4/c1-3-14-29-19-24(22(2)26-29)18-28-17-13-25(21-28)12-8-16-27(20-25)15-7-11-23-9-5-4-6-10-23/h4-6,9-10,19H,3,7-8,11-18,20-21H2,1-2H3
InChIKeyIXOFCTBKPKGRBT-UHFFFAOYSA-N
MW394.61 g/mol
LogP4.52
Rot. Bonds8

About 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane

2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45190723) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
PubChem CID45190723
Molecular FormulaC25H38N4
Molecular Weight394.61 g/mol
Exact Mass394.31
IUPAC Name2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
SMILESCCCn1cc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)c(C)n1
InChIInChI=1S/C25H38N4/c1-3-14-29-19-24(22(2)26-29)18-28-17-13-25(21-28)12-8-16-27(20-25)15-7-11-23-9-5-4-6-10-23/h4-6,9-10,19H,3,7-8,11-18,20-21H2,1-2H3
InChIKeyIXOFCTBKPKGRBT-UHFFFAOYSA-N
XLogP4.52
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.61
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45208898
9-[(2,3-difluorophenyl)methyl]-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45206611
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane (CID 45190723) is 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane is CCCn1cc(CN2CCC3(CCCN(CCCc4ccccc4)C3)C2)c(C)n1.
What is the InChIKey of 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is IXOFCTBKPKGRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4/c1-3-14-29-19-24(22(2)26-29)18-28-17-13-25(21-28)12-8-16-27(20-25)15-7-11-23-9-5-4-6-10-23/h4-6,9-10,19H,3,7-8,11-18,20-21H2,1-2H3.
What are the key properties of 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane?
2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 394.61 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45190723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).