1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide

C21H28FN5O6S — CID 73139128

IUPAC1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H28FN5O6S/c22-15-3-5-16(6-4-15)34(31,32)27-9-8-26(21(30)25-10-12-33-13-11-25)14-18(27)20(29)24-17-2-1-7-23-19(17)28/h3-6,17-18H,1-2,7-14H2,(H,23,28)(H,24,29)
InChIKeyAPLNUIZAXODBSH-UHFFFAOYSA-N
MW497.55 g/mol
LogP-0.65
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide

1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (PubChem CID 73139128) has the molecular formula C21H28FN5O6S and a molecular weight of 497.55 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
PubChem CID73139128
Molecular FormulaC21H28FN5O6S
Molecular Weight497.55 g/mol
Exact Mass497.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
SMILESO=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H28FN5O6S/c22-15-3-5-16(6-4-15)34(31,32)27-9-8-26(21(30)25-10-12-33-13-11-25)14-18(27)20(29)24-17-2-1-7-23-19(17)28/h3-6,17-18H,1-2,7-14H2,(H,23,28)(H,24,29)
InChIKeyAPLNUIZAXODBSH-UHFFFAOYSA-N
XLogP-0.65
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78522962
(2R)-1-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162810420
(3R)-1-N-(4-acetylphenyl)-4-(4-fluorophenyl)sulfonyl-3-N-[(3S)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 7674055
(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163173098
1-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
(2R)-4-(morpholine-4-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682222
(2S)-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162804829
(2R)-1-N-cyclohexyl-4-(4-fluorophenyl)sulfonyl-2-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,2-dicarboxamide
CID 162810031
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
(2S)-4-(1-methylpyrrole-2-carbonyl)-1-methylsulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682019
(3S)-1-N-(4-acetylphenyl)-4-methylsulfonyl-3-N-[(3R)-2-oxopiperidin-3-yl]piperazine-1,3-dicarboxamide
CID 163173679

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide (CID 73139128) is 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is O=C1NCCCC1NC(=O)C1CN(C(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
The InChIKey is APLNUIZAXODBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O6S/c22-15-3-5-16(6-4-15)34(31,32)27-9-8-26(21(30)25-10-12-33-13-11-25)14-18(27)20(29)24-17-2-1-7-23-19(17)28/h3-6,17-18H,1-2,7-14H2,(H,23,28)(H,24,29).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide?
1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide has a molecular weight of 497.55 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide is sourced from PubChem (CID 73139128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).