(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

C15H24N4OS — CID 120933581

IUPAC(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCCC1CN(C(=O)C2(n3cccn3)CCNCC2)CCS1
InChIInChI=1S/C15H24N4OS/c1-2-13-12-18(10-11-21-13)14(20)15(4-7-16-8-5-15)19-9-3-6-17-19/h3,6,9,13,16H,2,4-5,7-8,10-12H2,1H3
InChIKeyUGGSHEDRTXZRTP-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.32
Rot. Bonds3

About (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone

(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (PubChem CID 120933581) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
PubChem CID120933581
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
SMILESCCC1CN(C(=O)C2(n3cccn3)CCNCC2)CCS1
InChIInChI=1S/C15H24N4OS/c1-2-13-12-18(10-11-21-13)14(20)15(4-7-16-8-5-15)19-9-3-6-17-19/h3,6,9,13,16H,2,4-5,7-8,10-12H2,1H3
InChIKeyUGGSHEDRTXZRTP-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone 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-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120941305
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941320
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 120929389
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
[4-(methoxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120931342
[2-(methoxymethyl)morpholin-4-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120933760
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone (CID 120933581) is (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is CCC1CN(C(=O)C2(n3cccn3)CCNCC2)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
The InChIKey is UGGSHEDRTXZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-2-13-12-18(10-11-21-13)14(20)15(4-7-16-8-5-15)19-9-3-6-17-19/h3,6,9,13,16H,2,4-5,7-8,10-12H2,1H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone?
(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone has a molecular weight of 308.45 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 120933581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).