ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate

C20H27N3O2S — CID 177224522

IUPACethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@H](N)c2ccc(-c3scnc3C)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-25-20(24)17-8-10-23(11-9-17)12-18(21)15-4-6-16(7-5-15)19-14(2)22-13-26-19/h4-7,13,17-18H,3,8-12,21H2,1-2H3/t18-/m0/s1
InChIKeyDBLYLMTUAZSLMW-SFHVURJKSA-N
MW373.52 g/mol
LogP3.39
Rot. Bonds6

About ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate

ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate (PubChem CID 177224522) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
PubChem CID177224522
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Nameethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C[C@H](N)c2ccc(-c3scnc3C)cc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-25-20(24)17-8-10-23(11-9-17)12-18(21)15-4-6-16(7-5-15)19-14(2)22-13-26-19/h4-7,13,17-18H,3,8-12,21H2,1-2H3/t18-/m0/s1
InChIKeyDBLYLMTUAZSLMW-SFHVURJKSA-N
XLogP3.39
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2R)-2-[[(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate
CID 177224502
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
ethyl 1-[[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate
CID 36694446
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-[2-(bromomethyl)-3-methylbutyl]piperidine-4-carboxylate
CID 65011840
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84756543
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931323
ethyl 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperidine-4-carboxylate
CID 3409235
ethyl 1-(4-amino-2-pyridinyl)piperidine-4-carboxylate
CID 68568819

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate (CID 177224522) is ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C[C@H](N)c2ccc(-c3scnc3C)cc2)CC1.
What is the InChIKey of ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate?
The InChIKey is DBLYLMTUAZSLMW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-25-20(24)17-8-10-23(11-9-17)12-18(21)15-4-6-16(7-5-15)19-14(2)22-13-26-19/h4-7,13,17-18H,3,8-12,21H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate?
ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate has a molecular weight of 373.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 177224522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).