N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C21H29N3O4 — CID 2481546

About N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 2481546) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
• PubChem CID: 2481546
• Molecular Formula: C21H29N3O4
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.22
• IUPAC Name: N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1
• InChI: InChI=1S/C21H29N3O4/c1-15(2)19(23-20(25)18-9-7-13-28-18)21(26)22-14-16(17-8-6-12-27-17)24-10-4-3-5-11-24/h6-9,12-13,15-16,19H,3-5,10-11,14H2,1-2H3,(H,22,26)(H,23,25)/t16-,19-/m0/s1
• InChIKey: LZGMTRHJVPZBFE-LPHOPBHVSA-N
• XLogP: 2.97
• TPSA: 87.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 2481546) is N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1.

What is the InChIKey of N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?

The InChIKey is LZGMTRHJVPZBFE-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15(2)19(23-20(25)18-9-7-13-28-18)21(26)22-14-16(17-8-6-12-27-17)24-10-4-3-5-11-24/h6-9,12-13,15-16,19H,3-5,10-11,14H2,1-2H3,(H,22,26)(H,23,25)/t16-,19-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?

N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2481546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).