[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C24H32ClN5O5S — CID 53336632

IUPAC[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C24H32ClN5O5S/c1-2-8-29-18-21(23(31)28-9-6-24(7-10-28)34-15-16-35-24)22(26-29)36(32,33)30-13-11-27(12-14-30)20-5-3-4-19(25)17-20/h3-5,17-18H,2,6-16H2,1H3
InChIKeyZIYHIXASAGFCBC-UHFFFAOYSA-N
MW538.07 g/mol
LogP2.44
Rot. Bonds6

About [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 53336632) has the molecular formula C24H32ClN5O5S and a molecular weight of 538.07 g/mol. Its IUPAC name is [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID53336632
Molecular FormulaC24H32ClN5O5S
Molecular Weight538.07 g/mol
Exact Mass537.18
IUPAC Name[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C24H32ClN5O5S/c1-2-8-29-18-21(23(31)28-9-6-24(7-10-28)34-15-16-35-24)22(26-29)36(32,33)30-13-11-27(12-14-30)20-5-3-4-19(25)17-20/h3-5,17-18H,2,6-16H2,1H3
InChIKeyZIYHIXASAGFCBC-UHFFFAOYSA-N
XLogP2.44
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.07
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53336711
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
CID 53142803
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336715
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(oxolan-2-ylmethyl)-1-propylpyrazole-4-carboxamide
CID 53142808
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 53336612
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
CID 53142789
1-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-propylpyrazole-4-carbonyl]piperidin-4-one
CID 53336445
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperidin-4-one
CID 53336781
1-[4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 53336912
[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl-1-methylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53336733
[3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-1-ethylpyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53336532

Frequently Asked Questions

What is the IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 53336632) is [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is CCCn1cc(C(=O)N2CCC3(CC2)OCCO3)c(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is ZIYHIXASAGFCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O5S/c1-2-8-29-18-21(23(31)28-9-6-24(7-10-28)34-15-16-35-24)22(26-29)36(32,33)30-13-11-27(12-14-30)20-5-3-4-19(25)17-20/h3-5,17-18H,2,6-16H2,1H3.
What are the key properties of [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 538.07 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 53336632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).