tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate

C18H33N3O4 — CID 71911150

IUPACtert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCCNC(=O)CN(CC)C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O4/c1-7-19-14(22)13-20(8-2)15(23)18(6)9-11-21(12-10-18)16(24)25-17(3,4)5/h7-13H2,1-6H3,(H,19,22)
InChIKeyFNYOBLJJVDJQGB-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.01
Rot. Bonds5

About tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate (PubChem CID 71911150) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate
PubChem CID71911150
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCCNC(=O)CN(CC)C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O4/c1-7-19-14(22)13-20(8-2)15(23)18(6)9-11-21(12-10-18)16(24)25-17(3,4)5/h7-13H2,1-6H3,(H,19,22)
InChIKeyFNYOBLJJVDJQGB-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140406
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 83207478
tert-butyl 4-(dimethylcarbamoyl)-4-methylpiperidine-1-carboxylate;dimethylazanium;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;chloride
CID 157205487
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 4-[(2-bromophenyl)methyl-(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 146612717
1-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 65465097
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate (CID 71911150) is tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate is CCNC(=O)CN(CC)C(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is FNYOBLJJVDJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-7-19-14(22)13-20(8-2)15(23)18(6)9-11-21(12-10-18)16(24)25-17(3,4)5/h7-13H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 71911150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).