ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate

C18H27N3O3S — CID 9000827

IUPACethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCc3sccc3[C@@H]2C)CC1
InChIInChI=1S/C18H27N3O3S/c1-3-24-18(23)20-8-4-14(5-9-20)19-17(22)12-21-10-6-16-15(13(21)2)7-11-25-16/h7,11,13-14H,3-6,8-10,12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyGPVYENZJOVVBBM-ZDUSSCGKSA-N
MW365.50 g/mol
LogP2.40
Rot. Bonds4

About ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 9000827) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID9000827
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nameethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN2CCc3sccc3[C@@H]2C)CC1
InChIInChI=1S/C18H27N3O3S/c1-3-24-18(23)20-8-4-14(5-9-20)19-17(22)12-21-10-6-16-15(13(21)2)7-11-25-16/h7,11,13-14H,3-6,8-10,12H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyGPVYENZJOVVBBM-ZDUSSCGKSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9000906
methyl 2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoate
CID 54939954
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylacetamide
CID 102555946
N-(2,4-dimethylphenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999878
N-(4-iodophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 8999831
N'-[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 41292732
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanehydrazide
CID 63585229
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 110689912
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
2-ethoxy-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 63068667

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate (CID 9000827) is ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN2CCc3sccc3[C@@H]2C)CC1.
What is the InChIKey of ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is GPVYENZJOVVBBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-24-18(23)20-8-4-14(5-9-20)19-17(22)12-21-10-6-16-15(13(21)2)7-11-25-16/h7,11,13-14H,3-6,8-10,12H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 9000827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).