N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide

About N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide

N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide (PubChem CID 166170393) has the molecular formula C22H33F3N4O6 and a molecular weight of 506.52 g/mol. Its IUPAC name is N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide.

Molecular Properties

Compound Name	N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide
PubChem CID	166170393
Molecular Formula	C22H33F3N4O6
Molecular Weight	506.52 g/mol
Exact Mass	506.24
IUPAC Name	N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide
SMILES	CC(C)C[C@H](NC(=O)C(=O)NC1(C)CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(F)(F)F
InChI	InChI=1S/C22H33F3N4O6/c1-12(2)9-15(28-19(33)20(34)29-21(3)6-7-21)18(32)27-14(16(30)11-35-22(23,24)25)10-13-5-4-8-26-17(13)31/h12-15H,4-11H2,1-3H3,(H,26,31)(H,27,32)(H,28,33)(H,29,34)/t13-,14-,15-/m0/s1
InChIKey	XNIGYGLETYJTSI-KKUMJFAQSA-N
XLogP	0.69
TPSA	142.70 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.52
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide?

The IUPAC name of N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide (CID 166170393) is N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide.

What is the SMILES notation for N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide?

The canonical SMILES for N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide is CC(C)C[C@H](NC(=O)C(=O)NC1(C)CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(F)(F)F.

What is the InChIKey of N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide?

The InChIKey is XNIGYGLETYJTSI-KKUMJFAQSA-N. The full InChI is InChI=1S/C22H33F3N4O6/c1-12(2)9-15(28-19(33)20(34)29-21(3)6-7-21)18(32)27-14(16(30)11-35-22(23,24)25)10-13-5-4-8-26-17(13)31/h12-15H,4-11H2,1-3H3,(H,26,31)(H,27,32)(H,28,33)(H,29,34)/t13-,14-,15-/m0/s1.

What are the key properties of N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide?

N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide has a molecular weight of 506.52 g/mol, XLogP of 0.69, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(1-methylcyclopropyl)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxamide is sourced from PubChem (CID 166170393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).