[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

C15H28N4O4S — CID 120622918

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1
InChIInChI=1S/C15H28N4O4S/c1-13-12-14(2-3-16-13)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19/h13-14,16H,2-12H2,1H3/t13-,14-/m0/s1
InChIKeyNKNRZHIKVPHSQX-KBPBESRZSA-N
MW360.48 g/mol
LogP-0.90
Rot. Bonds3

About [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 120622918) has the molecular formula C15H28N4O4S and a molecular weight of 360.48 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID120622918
Molecular FormulaC15H28N4O4S
Molecular Weight360.48 g/mol
Exact Mass360.18
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1
InChIInChI=1S/C15H28N4O4S/c1-13-12-14(2-3-16-13)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19/h13-14,16H,2-12H2,1H3/t13-,14-/m0/s1
InChIKeyNKNRZHIKVPHSQX-KBPBESRZSA-N
XLogP-0.90
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672794
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120637070
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120618871
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 120622918) is [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is C[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CCN1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is NKNRZHIKVPHSQX-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28N4O4S/c1-13-12-14(2-3-16-13)15(20)17-4-6-18(7-5-17)24(21,22)19-8-10-23-11-9-19/h13-14,16H,2-12H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 120622918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).