(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C20H30N4O4S — CID 3237285

IUPAC(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N4O4S/c25-20(22-12-10-21(11-13-22)19-4-2-1-3-5-19)18-6-8-23(9-7-18)29(26,27)24-14-16-28-17-15-24/h1-5,18H,6-17H2
InChIKeyMVMFYTDVZDLDRF-UHFFFAOYSA-N
MW422.55 g/mol
LogP0.62
Rot. Bonds4

About (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3237285) has the molecular formula C20H30N4O4S and a molecular weight of 422.55 g/mol. Its IUPAC name is (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID3237285
Molecular FormulaC20H30N4O4S
Molecular Weight422.55 g/mol
Exact Mass422.20
IUPAC Name(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N4O4S/c25-20(22-12-10-21(11-13-22)19-4-2-1-3-5-19)18-6-8-23(9-7-18)29(26,27)24-14-16-28-17-15-24/h1-5,18H,6-17H2
InChIKeyMVMFYTDVZDLDRF-UHFFFAOYSA-N
XLogP0.62
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-Morpholinoanilino)-2-oxoethyl]-4-piperidinecarboxamide
CID 2813874
2-[N-(dimethylsulfamoyl)anilino]-1-morpholin-4-ylethanone
CID 800437
1-(morpholin-4-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 3236582
1-{[1-(Morpholin-4-ylsulfonyl)piperidin-4-yl]carbonyl}indoline
CID 3241125
N-{3-[butyl(phenyl)amino]propyl}-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3241495
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3242123
N-{3-[ethyl(3-methylphenyl)amino]propyl}-1-(morpholin-4-ylsulfonyl)piperidine-4-carboxamide
CID 3243553
1-(4-fluorophenyl)-4-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24791738
4-[(4-{[4-(2-Fluorophenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)sulfonyl]morpholine
CID 4452667
1-(1-Methanesulfonylpiperidine-4-carbonyl)-4-phenylpiperazine
CID 1082616
4-[(4-{[4-(2,3-Dimethylphenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)sulfonyl]morpholine
CID 4450300
4-[(4-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)sulfonyl]morpholine
CID 4452670

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 3237285) is (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MVMFYTDVZDLDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4S/c25-20(22-12-10-21(11-13-22)19-4-2-1-3-5-19)18-6-8-23(9-7-18)29(26,27)24-14-16-28-17-15-24/h1-5,18H,6-17H2.
What are the key properties of (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 422.55 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-ylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3237285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).