methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

C24H35NO2 — CID 142115956

About methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate

methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 142115956) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
• PubChem CID: 142115956
• Molecular Formula: C24H35NO2
• Molecular Weight: 369.55 g/mol
• Exact Mass: 369.27
• IUPAC Name: methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
• SMILES: COC(=O)C1(C(C)C)CCC(N2CC[C@@H](/C=C\c3ccccc3)[C@@H](C)C2)C1
• InChI: InChI=1S/C24H35NO2/c1-18(2)24(23(26)27-4)14-12-22(16-24)25-15-13-21(19(3)17-25)11-10-20-8-6-5-7-9-20/h5-11,18-19,21-22H,12-17H2,1-4H3/b11-10-/t19-,21+,22?,24?/m0/s1
• InChIKey: LOCOUQGGFZYKDN-RRGKYNTHSA-N
• XLogP: 5.03
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.55
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?

The IUPAC name of methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate (CID 142115956) is methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate.

What is the SMILES notation for methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?

The canonical SMILES for methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is COC(=O)C1(C(C)C)CCC(N2CC[C@@H](/C=C\c3ccccc3)[C@@H](C)C2)C1.

What is the InChIKey of methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?

The InChIKey is LOCOUQGGFZYKDN-RRGKYNTHSA-N. The full InChI is InChI=1S/C24H35NO2/c1-18(2)24(23(26)27-4)14-12-22(16-24)25-15-13-21(19(3)17-25)11-10-20-8-6-5-7-9-20/h5-11,18-19,21-22H,12-17H2,1-4H3/b11-10-/t19-,21+,22?,24?/m0/s1.

What are the key properties of methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate?

methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 369.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 142115956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).