(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide

C22H23FN4O4S — CID 163171368

IUPAC(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O4S/c23-15-5-1-4-14(12-15)21(30)27-10-9-26(22(31)18-7-3-11-32-18)13-17(27)20(29)25-16-6-2-8-24-19(16)28/h1,3-5,7,11-12,16-17H,2,6,8-10,13H2,(H,24,28)(H,25,29)/t16-,17+/m1/s1
InChIKeyVMWMWXIUAMMDSZ-SJORKVTESA-N
MW458.52 g/mol
LogP1.25
Rot. Bonds4

About (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide

(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide (PubChem CID 163171368) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
PubChem CID163171368
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
SMILESO=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O4S/c23-15-5-1-4-14(12-15)21(30)27-10-9-26(22(31)18-7-3-11-32-18)13-17(27)20(29)25-16-6-2-8-24-19(16)28/h1,3-5,7,11-12,16-17H,2,6,8-10,13H2,(H,24,28)(H,25,29)/t16-,17+/m1/s1
InChIKeyVMWMWXIUAMMDSZ-SJORKVTESA-N
XLogP1.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 162814732
(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 162897219
(2R)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyrimidine-5-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 11912359
(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162885419
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
methyl 4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
CID 78454898
methyl (2R)-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate
CID 162809052
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
1-benzoyl-4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 73139967
(2S)-1-benzoyl-4-(morpholine-4-carbonyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163173098

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide (CID 163171368) is (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide is O=C1NCCC[C@H]1NC(=O)[C@@H]1CN(C(=O)c2cccs2)CCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is VMWMWXIUAMMDSZ-SJORKVTESA-N. The full InChI is InChI=1S/C22H23FN4O4S/c23-15-5-1-4-14(12-15)21(30)27-10-9-26(22(31)18-7-3-11-32-18)13-17(27)20(29)25-16-6-2-8-24-19(16)28/h1,3-5,7,11-12,16-17H,2,6,8-10,13H2,(H,24,28)(H,25,29)/t16-,17+/m1/s1.
What are the key properties of (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide?
(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 163171368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).