1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

C18H26N2O2S — CID 56792637

IUPAC1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCCc1ccsc1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H26N2O2S/c1-2-15-8-12-23-17(15)18(22)19-10-6-14(7-11-19)13-20-9-4-3-5-16(20)21/h8,12,14H,2-7,9-11,13H2,1H3
InChIKeyAVUKFTABMJAEOD-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.18
Rot. Bonds4

About 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one

1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (PubChem CID 56792637) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
PubChem CID56792637
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
SMILESCCc1ccsc1C(=O)N1CCC(CN2CCCCC2=O)CC1
InChIInChI=1S/C18H26N2O2S/c1-2-15-8-12-23-17(15)18(22)19-10-6-14(7-11-19)13-20-9-4-3-5-16(20)21/h8,12,14H,2-7,9-11,13H2,1H3
InChIKeyAVUKFTABMJAEOD-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The IUPAC name of 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one (CID 56792637) is 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is CCc1ccsc1C(=O)N1CCC(CN2CCCCC2=O)CC1.
What is the InChIKey of 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
The InChIKey is AVUKFTABMJAEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-2-15-8-12-23-17(15)18(22)19-10-6-14(7-11-19)13-20-9-4-3-5-16(20)21/h8,12,14H,2-7,9-11,13H2,1H3.
What are the key properties of 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one?
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one has a molecular weight of 334.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one is sourced from PubChem (CID 56792637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).