tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate

C19H34N2O5 — CID 84556152

IUPACtert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate
SMILESCCCN(CCC(=O)OCC)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-6-11-20(13-10-16(22)25-7-2)17(23)15-9-8-12-21(14-15)18(24)26-19(3,4)5/h15H,6-14H2,1-5H3
InChIKeyUTVFWYRVNJTQHZ-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.83
Rot. Bonds7

About tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate (PubChem CID 84556152) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate
PubChem CID84556152
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nametert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate
SMILESCCCN(CCC(=O)OCC)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-6-11-20(13-10-16(22)25-7-2)17(23)15-9-8-12-21(14-15)18(24)26-19(3,4)5/h15H,6-14H2,1-5H3
InChIKeyUTVFWYRVNJTQHZ-UHFFFAOYSA-N
XLogP2.83
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 3-pentanoylpiperidine-1-carboxylate
CID 82092945
tert-butyl 3-[(3-ethoxy-3-oxopropoxy)methyl]piperidine-1-carboxylate
CID 54043690
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
tert-butyl 3-(4-ethoxy-2,4-dioxobutyl)piperidine-1-carboxylate
CID 24730344
tert-butyl 3-[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 55461699
tert-butyl (3S)-3-[bis(prop-2-ynyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95990621
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 119205313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate (CID 84556152) is tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate is CCCN(CCC(=O)OCC)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is UTVFWYRVNJTQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-6-11-20(13-10-16(22)25-7-2)17(23)15-9-8-12-21(14-15)18(24)26-19(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 84556152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).