1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine

C16H25N5O3S — CID 70733113

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C16H25N5O3S/c1-13-15(11-18-19(13)2)25(22,23)21-7-4-5-14(12-21)16-17-6-8-20(16)9-10-24-3/h6,8,11,14H,4-5,7,9-10,12H2,1-3H3
InChIKeyKANKQZACVCLWQU-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.14
Rot. Bonds6

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine (PubChem CID 70733113) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
PubChem CID70733113
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
SMILESCOCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1
InChIInChI=1S/C16H25N5O3S/c1-13-15(11-18-19(13)2)25(22,23)21-7-4-5-14(12-21)16-17-6-8-20(16)9-10-24-3/h6,8,11,14H,4-5,7,9-10,12H2,1-3H3
InChIKeyKANKQZACVCLWQU-UHFFFAOYSA-N
XLogP1.14
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
3-[1-(2-methoxyethyl)imidazol-2-yl]-1-(4-methylthiophen-2-yl)sulfonylpiperidine
CID 70783584
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280731
3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
3-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202782
3-[(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]benzoic acid
CID 97202781
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine (CID 70733113) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine is COCCn1ccnc1C1CCCN(S(=O)(=O)c2cnn(C)c2C)C1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine?
The InChIKey is KANKQZACVCLWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-13-15(11-18-19(13)2)25(22,23)21-7-4-5-14(12-21)16-17-6-8-20(16)9-10-24-3/h6,8,11,14H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine has a molecular weight of 367.48 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 70733113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).