ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate

C19H28N2O3S — CID 45217033

IUPACethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(C(=O)c3sccc3C)C2)CC1
InChIInChI=1S/C19H28N2O3S/c1-3-24-19(23)20-10-6-16(7-11-20)21-9-4-5-15(13-21)17(22)18-14(2)8-12-25-18/h8,12,15-16H,3-7,9-11,13H2,1-2H3
InChIKeyDNEGFABWTHRIIH-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.57
Rot. Bonds4

About ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 45217033) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID45217033
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Nameethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC(C(=O)c3sccc3C)C2)CC1
InChIInChI=1S/C19H28N2O3S/c1-3-24-19(23)20-10-6-16(7-11-20)21-9-4-5-15(13-21)17(22)18-14(2)8-12-25-18/h8,12,15-16H,3-7,9-11,13H2,1-2H3
InChIKeyDNEGFABWTHRIIH-UHFFFAOYSA-N
XLogP3.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 42191973
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ethyl 4-piperidin-1-ylazepane-1-carboxylate
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ethyl 4-[3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate
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[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 25381246
ethyl 4-[3-(cyclopentanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
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ethyl 4-[(3R)-3-(cyclohexanecarbonylamino)piperidin-1-yl]piperidine-1-carboxylate
CID 46872062
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 72874587
ethyl 4-[3-(4-fluoroanilino)piperidin-1-yl]piperidine-1-carboxylate
CID 45245692
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
[(3S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate (CID 45217033) is ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC(C(=O)c3sccc3C)C2)CC1.
What is the InChIKey of ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is DNEGFABWTHRIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-24-19(23)20-10-6-16(7-11-20)21-9-4-5-15(13-21)17(22)18-14(2)8-12-25-18/h8,12,15-16H,3-7,9-11,13H2,1-2H3.
What are the key properties of ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 364.51 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 45217033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).