2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile

C18H23N3O2S — CID 84586050

IUPAC2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(N2CCC(OCC3CC3)CC2)C1=O
InChIInChI=1S/C18H23N3O2S/c19-11-14-6-10-24-18(14)21-9-5-16(17(21)22)20-7-3-15(4-8-20)23-12-13-1-2-13/h6,10,13,15-16H,1-5,7-9,12H2
InChIKeyXCLNETROZUNWLW-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.62
Rot. Bonds5

About 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile

2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile (PubChem CID 84586050) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile
PubChem CID84586050
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile
SMILESN#Cc1ccsc1N1CCC(N2CCC(OCC3CC3)CC2)C1=O
InChIInChI=1S/C18H23N3O2S/c19-11-14-6-10-24-18(14)21-9-5-16(17(21)22)20-7-3-15(4-8-20)23-12-13-1-2-13/h6,10,13,15-16H,1-5,7-9,12H2
InChIKeyXCLNETROZUNWLW-UHFFFAOYSA-N
XLogP2.62
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile?
The IUPAC name of 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile (CID 84586050) is 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile.
What is the SMILES notation for 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile?
The canonical SMILES for 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile is N#Cc1ccsc1N1CCC(N2CCC(OCC3CC3)CC2)C1=O.
What is the InChIKey of 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile?
The InChIKey is XCLNETROZUNWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c19-11-14-6-10-24-18(14)21-9-5-16(17(21)22)20-7-3-15(4-8-20)23-12-13-1-2-13/h6,10,13,15-16H,1-5,7-9,12H2.
What are the key properties of 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile?
2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile has a molecular weight of 345.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]-2-oxopyrrolidin-1-yl]thiophene-3-carbonitrile is sourced from PubChem (CID 84586050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).