2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

C26H36N4O — CID 146072034

IUPAC2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCCn1cc(CN2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C26H36N4O/c1-3-29-19-22(20(2)27-29)18-28-16-12-23(13-17-28)30-24(21-10-6-4-7-11-21)26(25(30)31)14-8-5-9-15-26/h4,6-7,10-11,19,23-24H,3,5,8-9,12-18H2,1-2H3
InChIKeyJNIAUKVTADFEEN-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.71
Rot. Bonds5

About 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one

2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 146072034) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID146072034
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC Name2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
SMILESCCn1cc(CN2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C26H36N4O/c1-3-29-19-22(20(2)27-29)18-28-16-12-23(13-17-28)30-24(21-10-6-4-7-11-21)26(25(30)31)14-8-5-9-15-26/h4,6-7,10-11,19,23-24H,3,5,8-9,12-18H2,1-2H3
InChIKeyJNIAUKVTADFEEN-UHFFFAOYSA-N
XLogP4.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072035
3-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261906
3-(2,3-dihydro-1H-inden-2-yl)-5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45174985
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136568444
1-(benzenesulfonyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208440
1'-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylspiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-6-one
CID 110074897
1-benzylsulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 22208461
2-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072062
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072045
2-(3-oxo-1-phenyl-2-azaspiro[3.5]nonan-2-yl)-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 4267359
N-benzyl-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199726
3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 110244676

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one (CID 146072034) is 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is CCn1cc(CN2CCC(N3C(=O)C4(CCCCC4)C3c3ccccc3)CC2)c(C)n1.
What is the InChIKey of 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is JNIAUKVTADFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-3-29-19-22(20(2)27-29)18-28-16-12-23(13-17-28)30-24(21-10-6-4-7-11-21)26(25(30)31)14-8-5-9-15-26/h4,6-7,10-11,19,23-24H,3,5,8-9,12-18H2,1-2H3.
What are the key properties of 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one?
2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 420.60 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 146072034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).