ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate

C20H30N2O3 — CID 8931532

IUPACethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccccc2[C@@H](C)CC)CC1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)17-8-6-7-9-18(17)21-19(23)14-22-12-10-16(11-13-22)20(24)25-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyGENSIMXUOQRGSL-HNNXBMFYSA-N
MW346.47 g/mol
LogP3.41
Rot. Bonds7

About ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8931532) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8931532
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nameethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccccc2[C@@H](C)CC)CC1
InChIInChI=1S/C20H30N2O3/c1-4-15(3)17-8-6-7-9-18(17)21-19(23)14-22-12-10-16(11-13-22)20(24)25-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyGENSIMXUOQRGSL-HNNXBMFYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
CID 54838112
ethyl 1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 46800821
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130047
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130043
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931239
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8773092

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate (CID 8931532) is ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)Nc2ccccc2[C@@H](C)CC)CC1.
What is the InChIKey of ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is GENSIMXUOQRGSL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-15(3)17-8-6-7-9-18(17)21-19(23)14-22-12-10-16(11-13-22)20(24)25-5-2/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8931532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).