propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C19H28N2O5 — CID 95270006

About propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 95270006) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• PubChem CID: 95270006
• Molecular Formula: C19H28N2O5
• Molecular Weight: 364.44 g/mol
• Exact Mass: 364.20
• IUPAC Name: propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• SMILES: Cc1[nH]c(C(=O)N2CCCC[C@H]2C2OCCO2)c(C)c1C(=O)OC(C)C
• InChI: InChI=1S/C19H28N2O5/c1-11(2)26-18(23)15-12(3)16(20-13(15)4)17(22)21-8-6-5-7-14(21)19-24-9-10-25-19/h11,14,19-20H,5-10H2,1-4H3/t14-/m0/s1
• InChIKey: RDOJGRIPRDIFCS-AWEZNQCLSA-N
• XLogP: 2.56
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.44
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The IUPAC name of propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 95270006) is propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

What is the SMILES notation for propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The canonical SMILES for propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is Cc1[nH]c(C(=O)N2CCCC[C@H]2C2OCCO2)c(C)c1C(=O)OC(C)C.

What is the InChIKey of propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The InChIKey is RDOJGRIPRDIFCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-11(2)26-18(23)15-12(3)16(20-13(15)4)17(22)21-8-6-5-7-14(21)19-24-9-10-25-19/h11,14,19-20H,5-10H2,1-4H3/t14-/m0/s1.

What are the key properties of propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 5-[(2S)-2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 95270006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).