4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

C23H26ClN3O3 — CID 131941434

IUPAC4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)C2(CCCC2)O1
InChIInChI=1S/C23H26ClN3O3/c24-18-6-2-1-5-16(18)20-14-19(25-26-20)15-7-11-27(12-8-15)22(29)17-13-21(28)30-23(17)9-3-4-10-23/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,25,26)
InChIKeyZGHHSHGVTJCMHL-UHFFFAOYSA-N
MW427.93 g/mol
LogP4.31
Rot. Bonds3

About 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one

4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (PubChem CID 131941434) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
PubChem CID131941434
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
SMILESO=C1CC(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)C2(CCCC2)O1
InChIInChI=1S/C23H26ClN3O3/c24-18-6-2-1-5-16(18)20-14-19(25-26-20)15-7-11-27(12-8-15)22(29)17-13-21(28)30-23(17)9-3-4-10-23/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,25,26)
InChIKeyZGHHSHGVTJCMHL-UHFFFAOYSA-N
XLogP4.31
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one with MolForge

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Related Compounds

1-azabicyclo[2.2.2]octan-2-yl-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 138808918
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 56720560
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-N-[(3S)-oxolan-3-yl]piperidine-1-carboxamide
CID 126429602
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 77085432
[3-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-oxopropyl]urea
CID 56716669
(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
1'-(2-oxo-1-oxaspiro[4.4]nonane-4-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 131923016
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one (CID 131941434) is 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is O=C1CC(C(=O)N2CCC(c3cc(-c4ccccc4Cl)n[nH]3)CC2)C2(CCCC2)O1.
What is the InChIKey of 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is ZGHHSHGVTJCMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-18-6-2-1-5-16(18)20-14-19(25-26-20)15-7-11-27(12-8-15)22(29)17-13-21(28)30-23(17)9-3-4-10-23/h1-2,5-6,14-15,17H,3-4,7-13H2,(H,25,26).
What are the key properties of 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one?
4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 427.93 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 131941434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).