ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate

C19H29N3O3 — CID 9431131

IUPACethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-19(24)22-12-10-21(11-13-22)15(4)18(23)20-17-9-7-6-8-16(17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyLWGOSSZDIHNNIM-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.91
Rot. Bonds5

About ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate

ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate (PubChem CID 9431131) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
PubChem CID9431131
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nameethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-19(24)22-12-10-21(11-13-22)15(4)18(23)20-17-9-7-6-8-16(17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyLWGOSSZDIHNNIM-HNNXBMFYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24664257
ethyl 4-[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 9431101
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
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2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
ethyl 4-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 55351259
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30735580

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate (CID 9431131) is ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate?
The InChIKey is LWGOSSZDIHNNIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-25-19(24)22-12-10-21(11-13-22)15(4)18(23)20-17-9-7-6-8-16(17)14(2)3/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate?
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 9431131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).