1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone

C16H30N4O4S — CID 55598823

IUPAC1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1CCCCN1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H30N4O4S/c1-15-4-2-3-5-20(15)25(22,23)19-8-6-18(7-9-19)16(21)14-17-10-12-24-13-11-17/h15H,2-14H2,1H3
InChIKeyXFSAKBFDKYZWRL-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.42
Rot. Bonds4

About 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55598823) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55598823
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC Name1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCC1CCCCN1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C16H30N4O4S/c1-15-4-2-3-5-20(15)25(22,23)19-8-6-18(7-9-19)16(21)14-17-10-12-24-13-11-17/h15H,2-14H2,1H3
InChIKeyXFSAKBFDKYZWRL-UHFFFAOYSA-N
XLogP-0.42
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229561
1-(4-Cyclopentylpiperazin-1-yl)-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 57442385
2-(4-Morpholin-4-ylpiperidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442411
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 57443142
1-[4-[4-(2-Morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 129178235
2-[4-(1-Methylpiperidin-4-yl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 139421870
1-[4-[(2R)-1-[2-[4-[(2R)-5-(4-propan-2-ylpiperazin-1-yl)hexan-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]piperazin-1-yl]ethanone
CID 155322705
1-[3-(3-Morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
(2S)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 1439725
(2R)-1-morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 1439727

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone (CID 55598823) is 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone is CC1CCCCN1S(=O)(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is XFSAKBFDKYZWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c1-15-4-2-3-5-20(15)25(22,23)19-8-6-18(7-9-19)16(21)14-17-10-12-24-13-11-17/h15H,2-14H2,1H3.
What are the key properties of 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 374.51 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55598823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).