(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide

C24H28N4O — CID 41015611

IUPAC(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C24H28N4O/c1-18(13-14-19-8-3-2-4-9-19)26-24(29)20-10-7-15-28(17-20)23-16-25-21-11-5-6-12-22(21)27-23/h2-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,1H3,(H,26,29)/t18-,20+/m1/s1
InChIKeyHEGYCXMUDVHSQA-QUCCMNQESA-N
MW388.52 g/mol
LogP3.98
Rot. Bonds6

About (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide

(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide (PubChem CID 41015611) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
PubChem CID41015611
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C24H28N4O/c1-18(13-14-19-8-3-2-4-9-19)26-24(29)20-10-7-15-28(17-20)23-16-25-21-11-5-6-12-22(21)27-23/h2-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,1H3,(H,26,29)/t18-,20+/m1/s1
InChIKeyHEGYCXMUDVHSQA-QUCCMNQESA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
1-[2-(3-fluorophenyl)pyrimidin-4-yl]-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide
CID 53071413
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
N-(4-phenylbutan-2-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071376
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93077075
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007682
(3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 26007684
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide (CID 41015611) is (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide is C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The InChIKey is HEGYCXMUDVHSQA-QUCCMNQESA-N. The full InChI is InChI=1S/C24H28N4O/c1-18(13-14-19-8-3-2-4-9-19)26-24(29)20-10-7-15-28(17-20)23-16-25-21-11-5-6-12-22(21)27-23/h2-6,8-9,11-12,16,18,20H,7,10,13-15,17H2,1H3,(H,26,29)/t18-,20+/m1/s1.
What are the key properties of (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide?
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 41015611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).