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

C24H31FN4O4 — CID 162897219

IUPAC(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H31FN4O4/c25-18-9-4-8-17(14-18)23(32)28-12-13-29(24(33)16-6-2-1-3-7-16)20(15-28)22(31)27-19-10-5-11-26-21(19)30/h4,8-9,14,16,19-20H,1-3,5-7,10-13,15H2,(H,26,30)(H,27,31)/t19-,20-/m1/s1
InChIKeyMTPWYZDJUSFHEB-WOJBJXKFSA-N
MW458.53 g/mol
LogP1.45
Rot. Bonds4

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

(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 162897219) has the molecular formula C24H31FN4O4 and a molecular weight of 458.53 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID162897219
Molecular FormulaC24H31FN4O4
Molecular Weight458.53 g/mol
Exact Mass458.23
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1
InChIInChI=1S/C24H31FN4O4/c25-18-9-4-8-17(14-18)23(32)28-12-13-29(24(33)16-6-2-1-3-7-16)20(15-28)22(31)27-19-10-5-11-26-21(19)30/h4,8-9,14,16,19-20H,1-3,5-7,10-13,15H2,(H,26,30)(H,27,31)/t19-,20-/m1/s1
InChIKeyMTPWYZDJUSFHEB-WOJBJXKFSA-N
XLogP1.45
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2R)-1-(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 7674390
(2S)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162885419
(2S)-1,4-bis(cyclohexanecarbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 9419644
(2S)-1-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]-4-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 163171368
4-(cyclohexanecarbonyl)-1-N-cyclohexyl-3-N-(2-oxopiperidin-3-yl)piperazine-1,3-dicarboxamide
CID 73139978
(2S)-1-(3-fluorobenzoyl)-4-(4-fluorophenyl)sulfonyl-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11912348
1-benzoyl-N-(2-oxopiperidin-3-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 73139587
(2R)-4-benzoyl-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 162802444
(2S)-1-benzoyl-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-2-carboxamide
CID 11912588
(2S)-4-(cyclohexanecarbonyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrazine-2-carbonyl)piperazine-2-carboxamide
CID 162809347
4-(morpholine-4-carbonyl)-N-(2-oxopiperidin-3-yl)-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 78524288
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 162897219) is (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is O=C(N[C@@H]1CCCNC1=O)[C@H]1CN(C(=O)c2cccc(F)c2)CCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is MTPWYZDJUSFHEB-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H31FN4O4/c25-18-9-4-8-17(14-18)23(32)28-12-13-29(24(33)16-6-2-1-3-7-16)20(15-28)22(31)27-19-10-5-11-26-21(19)30/h4,8-9,14,16,19-20H,1-3,5-7,10-13,15H2,(H,26,30)(H,27,31)/t19-,20-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 162897219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).