4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

C16H27N3O6S — CID 120672794

IUPAC4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C16H27N3O6S/c20-15(13-1-3-14(4-2-13)16(21)22)17-5-7-18(8-6-17)26(23,24)19-9-11-25-12-10-19/h13-14H,1-12H2,(H,21,22)
InChIKeyUPDCQWACAZSILR-UHFFFAOYSA-N
MW389.47 g/mol
LogP-0.40
Rot. Bonds4

About 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 120672794) has the molecular formula C16H27N3O6S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID120672794
Molecular FormulaC16H27N3O6S
Molecular Weight389.47 g/mol
Exact Mass389.16
IUPAC Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C16H27N3O6S/c20-15(13-1-3-14(4-2-13)16(21)22)17-5-7-18(8-6-17)26(23,24)19-9-11-25-12-10-19/h13-14H,1-12H2,(H,21,22)
InChIKeyUPDCQWACAZSILR-UHFFFAOYSA-N
XLogP-0.40
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,4-oxazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63783007
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
(3-aminocyclohexyl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 119727809
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
4-(4-hydroxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782265
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
4-(cyclopropanecarbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 60738795

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 120672794) is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is UPDCQWACAZSILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O6S/c20-15(13-1-3-14(4-2-13)16(21)22)17-5-7-18(8-6-17)26(23,24)19-9-11-25-12-10-19/h13-14H,1-12H2,(H,21,22).
What are the key properties of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 389.47 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).