tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate

C19H35N3O4 — CID 30764016

IUPACtert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35N3O4/c1-8-21(13-15(23)20-18(2,3)4)16(24)14-9-11-22(12-10-14)17(25)26-19(5,6)7/h14H,8-13H2,1-7H3,(H,20,23)
InChIKeyJFMQBZVWLQZBCW-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.40
Rot. Bonds4

About tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 30764016) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID30764016
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nametert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35N3O4/c1-8-21(13-15(23)20-18(2,3)4)16(24)14-9-11-22(12-10-14)17(25)26-19(5,6)7/h14H,8-13H2,1-7H3,(H,20,23)
InChIKeyJFMQBZVWLQZBCW-UHFFFAOYSA-N
XLogP2.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[ethyl(2-hydroxyethyl)carbamoyl]piperidine-1-carboxylate
CID 78855436
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylcarbamoyl]piperidine-1-carboxylate
CID 55388595
tert-butyl (3S)-3-[bis(prop-2-ynyl)carbamoyl]pyrrolidine-1-carboxylate
CID 95990621
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,5-difluorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 55388525
N-[2-(tert-butylamino)-2-oxoethyl]-3-cyclohexyl-N-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75472686
1-O-tert-butyl 4-O-[2-(tert-butylcarbamoylamino)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924145
tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;methoxyethane;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 160695489
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl (3S)-3-[[2-(2,6-difluoroanilino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate
CID 38370609
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[2-(ethylamino)ethyl]piperidine-1-carboxylate
CID 71635409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate (CID 30764016) is tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate is CCN(CC(=O)NC(C)(C)C)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is JFMQBZVWLQZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-8-21(13-15(23)20-18(2,3)4)16(24)14-9-11-22(12-10-14)17(25)26-19(5,6)7/h14H,8-13H2,1-7H3,(H,20,23).
What are the key properties of tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 369.51 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(tert-butylamino)-2-oxoethyl]-ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 30764016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).