N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide

C17H29N5O3S — CID 155500318

IUPACN,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)CC2)CC1
InChIInChI=1S/C17H29N5O3S/c1-19(2)26(24,25)22-10-6-15(7-11-22)14-4-8-21(9-5-14)17(23)16-12-18-20(3)13-16/h12-15H,4-11H2,1-3H3
InChIKeyXHCWCKSJTHTNTK-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.79
Rot. Bonds4

About N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide

N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide (PubChem CID 155500318) has the molecular formula C17H29N5O3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
PubChem CID155500318
Molecular FormulaC17H29N5O3S
Molecular Weight383.52 g/mol
Exact Mass383.20
IUPAC NameN,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)CC2)CC1
InChIInChI=1S/C17H29N5O3S/c1-19(2)26(24,25)22-10-6-15(7-11-22)14-4-8-21(9-5-14)17(23)16-12-18-20(3)13-16/h12-15H,4-11H2,1-3H3
InChIKeyXHCWCKSJTHTNTK-UHFFFAOYSA-N
XLogP0.79
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide 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

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 113238255
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 119260468
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120816214
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl-(1-methylpyrazol-4-yl)methanone
CID 74881679
(3-hydroxyazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63105085
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
N,N,1-trimethyl-4-(1-methylpyrazole-4-carbonyl)piperazine-2-carboxamide
CID 110086004

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide (CID 155500318) is N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(C2CCN(C(=O)c3cnn(C)c3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide?
The InChIKey is XHCWCKSJTHTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3S/c1-19(2)26(24,25)22-10-6-15(7-11-22)14-4-8-21(9-5-14)17(23)16-12-18-20(3)13-16/h12-15H,4-11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide?
N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidine-1-sulfonamide is sourced from PubChem (CID 155500318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).