1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C18H32ClN5O3S — CID 55987005

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C18H32ClN5O3S/c1-13-15(16(19)23(6)21-13)28(26,27)24-9-7-14(8-10-24)17(25)20-11-18(2,3)12-22(4)5/h14H,7-12H2,1-6H3,(H,20,25)
InChIKeyQFXRZUWLRJDTSR-UHFFFAOYSA-N
MW434.01 g/mol
LogP1.49
Rot. Bonds7

About 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 55987005) has the molecular formula C18H32ClN5O3S and a molecular weight of 434.01 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID55987005
Molecular FormulaC18H32ClN5O3S
Molecular Weight434.01 g/mol
Exact Mass433.19
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1
InChIInChI=1S/C18H32ClN5O3S/c1-13-15(16(19)23(6)21-13)28(26,27)24-9-7-14(8-10-24)17(25)20-11-18(2,3)12-22(4)5/h14H,7-12H2,1-6H3,(H,20,25)
InChIKeyQFXRZUWLRJDTSR-UHFFFAOYSA-N
XLogP1.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 3230694
1-(4-cyclohexylphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987264
1-(5-bromothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55332211
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3230697
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 55987518
1-(3,4-diethoxyphenyl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987390
1-[4-(diethylsulfamoyl)benzoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55987670
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
1-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;oxalic acid
CID 163328469
(3R,4R)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-(hydroxymethyl)piperidin-3-ol
CID 56900685
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 3854256
4-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylthiomorpholine
CID 3868687

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 55987005) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is QFXRZUWLRJDTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClN5O3S/c1-13-15(16(19)23(6)21-13)28(26,27)24-9-7-14(8-10-24)17(25)20-11-18(2,3)12-22(4)5/h14H,7-12H2,1-6H3,(H,20,25).
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 434.01 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 55987005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).