[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C18H28N4O4S — CID 135111126

IUPAC[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCCCC1CCNc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H28N4O4S/c1-27(24,25)22-9-3-2-4-16(22)7-8-19-17-6-5-15(14-20-17)18(23)21-10-12-26-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3,(H,19,20)
InChIKeyZLWHHKYZEUIQIG-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.17
Rot. Bonds6

About [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 135111126) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID135111126
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC Name[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCCCC1CCNc1ccc(C(=O)N2CCOCC2)cn1
InChIInChI=1S/C18H28N4O4S/c1-27(24,25)22-9-3-2-4-16(22)7-8-19-17-6-5-15(14-20-17)18(23)21-10-12-26-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3,(H,19,20)
InChIKeyZLWHHKYZEUIQIG-UHFFFAOYSA-N
XLogP1.17
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
N-[2-[[5-(4-morpholin-4-ylpiperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]acetamide
CID 56742452
morpholin-4-yl-[6-(2-pyrazol-1-ylethylamino)-3-pyridinyl]methanone
CID 134700155
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[6-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134700458
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915

Frequently Asked Questions

What is the IUPAC name of [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 135111126) is [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is CS(=O)(=O)N1CCCCC1CCNc1ccc(C(=O)N2CCOCC2)cn1.
What is the InChIKey of [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is ZLWHHKYZEUIQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-27(24,25)22-9-3-2-4-16(22)7-8-19-17-6-5-15(14-20-17)18(23)21-10-12-26-13-11-21/h5-6,14,16H,2-4,7-13H2,1H3,(H,19,20).
What are the key properties of [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 396.51 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(1-methylsulfonylpiperidin-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 135111126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).