1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one

C18H29N3OS — CID 74241615

IUPAC1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C18H29N3OS/c1-19(12-13-21-11-3-2-6-18(21)22)14-16-7-8-17(23-16)15-20-9-4-5-10-20/h7-8H,2-6,9-15H2,1H3
InChIKeyAAIOJQVQVHDVGL-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.79
Rot. Bonds7

About 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one

1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one (PubChem CID 74241615) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one
PubChem CID74241615
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one
SMILESCN(CCN1CCCCC1=O)Cc1ccc(CN2CCCC2)s1
InChIInChI=1S/C18H29N3OS/c1-19(12-13-21-11-3-2-6-18(21)22)14-16-7-8-17(23-16)15-20-9-4-5-10-20/h7-8H,2-6,9-15H2,1H3
InChIKeyAAIOJQVQVHDVGL-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one (CID 74241615) is 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one is CN(CCN1CCCCC1=O)Cc1ccc(CN2CCCC2)s1.
What is the InChIKey of 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one?
The InChIKey is AAIOJQVQVHDVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-19(12-13-21-11-3-2-6-18(21)22)14-16-7-8-17(23-16)15-20-9-4-5-10-20/h7-8H,2-6,9-15H2,1H3.
What are the key properties of 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one?
1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one has a molecular weight of 335.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 74241615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).