N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide

C29H42N4O4 — CID 68508689

About N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide

N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide (PubChem CID 68508689) has the molecular formula C29H42N4O4 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide
• PubChem CID: 68508689
• Molecular Formula: C29H42N4O4
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.32
• IUPAC Name: N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide
• SMILES: CCCN1CCC(c2ccc(C(=O)N[C@H](C(=O)N3C[C@H](NC)[C@H]4OCC(=O)[C@H]43)C3CCCC3)cc2)CC1
• InChI: InChI=1S/C29H42N4O4/c1-3-14-32-15-12-20(13-16-32)19-8-10-22(11-9-19)28(35)31-25(21-6-4-5-7-21)29(36)33-17-23(30-2)27-26(33)24(34)18-37-27/h8-11,20-21,23,25-27,30H,3-7,12-18H2,1-2H3,(H,31,35)/t23-,25-,26+,27+/m0/s1
• InChIKey: GLLCVHUGHURFQQ-ALLMYJPZSA-N
• XLogP: 2.33
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide?

The IUPAC name of N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide (CID 68508689) is N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide.

What is the SMILES notation for N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide?

The canonical SMILES for N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(c2ccc(C(=O)N[C@H](C(=O)N3C[C@H](NC)[C@H]4OCC(=O)[C@H]43)C3CCCC3)cc2)CC1.

What is the InChIKey of N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide?

The InChIKey is GLLCVHUGHURFQQ-ALLMYJPZSA-N. The full InChI is InChI=1S/C29H42N4O4/c1-3-14-32-15-12-20(13-16-32)19-8-10-22(11-9-19)28(35)31-25(21-6-4-5-7-21)29(36)33-17-23(30-2)27-26(33)24(34)18-37-27/h8-11,20-21,23,25-27,30H,3-7,12-18H2,1-2H3,(H,31,35)/t23-,25-,26+,27+/m0/s1.

What are the key properties of N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide?

N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 510.68 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[(3aS,6S,6aR)-6-(methylamino)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-4-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 68508689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).