4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

C23H36N4O3 — CID 93200079

About 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide

4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 93200079) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• PubChem CID: 93200079
• Molecular Formula: C23H36N4O3
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.28
• IUPAC Name: 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
• SMILES: CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(C)C)CC1
• InChI: InChI=1S/C23H36N4O3/c1-15(2)17(5)25-22(29)20(26-21(28)19-9-7-6-8-10-19)18-11-13-27(14-12-18)23(30)24-16(3)4/h6-10,15-18,20H,11-14H2,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t17-,20-/m0/s1
• InChIKey: WIEMBRNLJKBOSW-PXNSSMCTSA-N
• XLogP: 2.78
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 93200079) is 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(C)C)CC1.

What is the InChIKey of 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

The InChIKey is WIEMBRNLJKBOSW-PXNSSMCTSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-15(2)17(5)25-22(29)20(26-21(28)19-9-7-6-8-10-19)18-11-13-27(14-12-18)23(30)24-16(3)4/h6-10,15-18,20H,11-14H2,1-5H3,(H,24,30)(H,25,29)(H,26,28)/t17-,20-/m0/s1.

What are the key properties of 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide?

4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 93200079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).