1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one

C17H32N4O4S — CID 46979836

IUPAC1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C17H32N4O4S/c1-16(18-6-2-3-7-18)4-5-17(22)19-8-10-20(11-9-19)26(23,24)21-12-14-25-15-13-21/h16H,2-15H2,1H3
InChIKeyRDLMWVLLSNTZKX-UHFFFAOYSA-N
MW388.53 g/mol
LogP-0.03
Rot. Bonds6

About 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one

1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one (PubChem CID 46979836) has the molecular formula C17H32N4O4S and a molecular weight of 388.53 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
PubChem CID46979836
Molecular FormulaC17H32N4O4S
Molecular Weight388.53 g/mol
Exact Mass388.21
IUPAC Name1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
SMILESCC(CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1
InChIInChI=1S/C17H32N4O4S/c1-16(18-6-2-3-7-18)4-5-17(22)19-8-10-20(11-9-19)26(23,24)21-12-14-25-15-13-21/h16H,2-15H2,1H3
InChIKeyRDLMWVLLSNTZKX-UHFFFAOYSA-N
XLogP-0.03
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-methylcyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-morpholin-4-ylpentan-1-one
CID 137344927
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
4-amino-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560567
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 55515697
4-morpholin-4-yl-1-(4-pyridin-4-ylpiperidin-1-yl)pentan-1-one
CID 91830644
3-(dimethylamino)-1-[4-(3-morpholin-4-ylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110617908
4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560564
3-(4-fluorophenyl)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)butan-1-one
CID 55940839
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylpentan-1-one
CID 91785686
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pentanoic acid
CID 146134852
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one (CID 46979836) is 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one is CC(CCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCCC1.
What is the InChIKey of 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one?
The InChIKey is RDLMWVLLSNTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4S/c1-16(18-6-2-3-7-18)4-5-17(22)19-8-10-20(11-9-19)26(23,24)21-12-14-25-15-13-21/h16H,2-15H2,1H3.
What are the key properties of 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one?
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one has a molecular weight of 388.53 g/mol, XLogP of -0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 46979836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).