acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

C49H87ClF3N7O11 — CID 158700514

About acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (PubChem CID 158700514) has the molecular formula C49H87ClF3N7O11 and a molecular weight of 1042.72 g/mol. Its IUPAC name is acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
• PubChem CID: 158700514
• Molecular Formula: C49H87ClF3N7O11
• Molecular Weight: 1042.72 g/mol
• Exact Mass: 1041.61
• IUPAC Name: acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
• SMILES: CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN(C(C)=O)C1CCN(C(=O)C(F)(F)F)CC1.CCN(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C14H26N2O3.C12H24N2O2.C11H17F3N2O2.C10H17NO3.C2H3ClO/c1-6-16(11(2)17)12-7-9-15(10-8-12)13(18)19-14(3,4)5;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-3-16(8(2)17)9-4-6-15(7-5-9)10(18)11(12,13)14;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2(3)4/h12H,6-10H2,1-5H3;10,13H,5-9H2,1-4H3;9H,3-7H2,1-2H3;4-7H2,1-3H3;1H3
• InChIKey: IHMGQFLGAGOWSX-UHFFFAOYSA-N
• XLogP: 8.02
• TPSA: 195.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.72
LogP ≤ 5	8.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?

The IUPAC name of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (CID 158700514) is acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.

What is the SMILES notation for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?

The canonical SMILES for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is CC(=O)Cl.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN(C(C)=O)C1CCN(C(=O)C(F)(F)F)CC1.CCN(C(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1.CCNC1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?

The InChIKey is IHMGQFLGAGOWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.C12H24N2O2.C11H17F3N2O2.C10H17NO3.C2H3ClO/c1-6-16(11(2)17)12-7-9-15(10-8-12)13(18)19-14(3,4)5;1-5-13-10-6-8-14(9-7-10)11(15)16-12(2,3)4;1-3-16(8(2)17)9-4-6-15(7-5-9)10(18)11(12,13)14;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-2(3)4/h12H,6-10H2,1-5H3;10,13H,5-9H2,1-4H3;9H,3-7H2,1-2H3;4-7H2,1-3H3;1H3.

What are the key properties of acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?

acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide has a molecular weight of 1042.72 g/mol, XLogP of 8.02, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;tert-butyl 4-[acetyl(ethyl)amino]piperidine-1-carboxylate;tert-butyl 4-(ethylamino)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 158700514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).