[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H24N2OS — CID 30137476

IUPAC[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N2OS/c1-13-6-11-20-15(13)12-17-9-4-14(5-10-17)16(19)18-7-2-3-8-18/h6,11,14H,2-5,7-10,12H2,1H3
InChIKeyNYYACQOGNGANAA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.89
Rot. Bonds3

About [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 30137476) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID30137476
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H24N2OS/c1-13-6-11-20-15(13)12-17-9-4-14(5-10-17)16(19)18-7-2-3-8-18/h6,11,14H,2-5,7-10,12H2,1H3
InChIKeyNYYACQOGNGANAA-UHFFFAOYSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 30137476) is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1ccsc1CN1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NYYACQOGNGANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-6-11-20-15(13)12-17-9-4-14(5-10-17)16(19)18-7-2-3-8-18/h6,11,14H,2-5,7-10,12H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 30137476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).