tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate

C23H34N2O3 — CID 118483873

IUPACtert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate
SMILESCCC1(N(CC(=O)N2CCCCC2)C(=O)OC(C)(C)C)CC1c1ccccc1
InChIInChI=1S/C23H34N2O3/c1-5-23(16-19(23)18-12-8-6-9-13-18)25(21(27)28-22(2,3)4)17-20(26)24-14-10-7-11-15-24/h6,8-9,12-13,19H,5,7,10-11,14-17H2,1-4H3
InChIKeyXGVIWKULAOWTON-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.57
Rot. Bonds5

About tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate

tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate (PubChem CID 118483873) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate
PubChem CID118483873
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Nametert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate
SMILESCCC1(N(CC(=O)N2CCCCC2)C(=O)OC(C)(C)C)CC1c1ccccc1
InChIInChI=1S/C23H34N2O3/c1-5-23(16-19(23)18-12-8-6-9-13-18)25(21(27)28-22(2,3)4)17-20(26)24-14-10-7-11-15-24/h6,8-9,12-13,19H,5,7,10-11,14-17H2,1-4H3
InChIKeyXGVIWKULAOWTON-UHFFFAOYSA-N
XLogP4.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-2-phenylcyclopropyl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 90204692
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
tert-butyl N-[(1R,2R)-1-ethyl-2-phenylcyclopropyl]carbamate
CID 118483818
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
aniline;tert-butyl piperidine-1-carboxylate
CID 142463276
tert-butyl N-[(3S,4R)-3-benzyl-4-phenylpyrrolidin-3-yl]-N-methylcarbamate
CID 67025608
2-[[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91149853
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
1-(azepan-1-yl)-2-[N-(2-hydroxybutyl)anilino]ethanone
CID 110919057
cis-ethyl (1R,2R)-2-phenyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylate
CID 44557722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate (CID 118483873) is tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate is CCC1(N(CC(=O)N2CCCCC2)C(=O)OC(C)(C)C)CC1c1ccccc1.
What is the InChIKey of tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate?
The InChIKey is XGVIWKULAOWTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-5-23(16-19(23)18-12-8-6-9-13-18)25(21(27)28-22(2,3)4)17-20(26)24-14-10-7-11-15-24/h6,8-9,12-13,19H,5,7,10-11,14-17H2,1-4H3.
What are the key properties of tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate?
tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate has a molecular weight of 386.54 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-ethyl-2-phenylcyclopropyl)-N-(2-oxo-2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 118483873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).