ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate

C18H27N3O3S — CID 46873654

IUPACethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-18(23)20-10-7-15(8-11-20)21-9-3-5-14(13-21)19-17(22)16-6-4-12-25-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyNQGIVGGFNIKUAD-CQSZACIVSA-N
MW365.50 g/mol
LogP2.56
Rot. Bonds4

About ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate

ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 46873654) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID46873654
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Nameethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-24-18(23)20-10-7-15(8-11-20)21-9-3-5-14(13-21)19-17(22)16-6-4-12-25-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyNQGIVGGFNIKUAD-CQSZACIVSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate (CID 46873654) is ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3cccs3)C2)CC1.
What is the InChIKey of ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is NQGIVGGFNIKUAD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-24-18(23)20-10-7-15(8-11-20)21-9-3-5-14(13-21)19-17(22)16-6-4-12-25-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3R)-3-(thiophene-2-carbonylamino)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 46873654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).