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

C17H26N2OS — CID 2903437

IUPAC[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N2OS/c1-14-7-12-21-16(14)13-18-10-5-15(6-11-18)17(20)19-8-3-2-4-9-19/h7,12,15H,2-6,8-11,13H2,1H3
InChIKeyQOMZDJHNPGITDD-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.28
Rot. Bonds3

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

[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 2903437) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID2903437
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccsc1CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C17H26N2OS/c1-14-7-12-21-16(14)13-18-10-5-15(6-11-18)17(20)19-8-3-2-4-9-19/h7,12,15H,2-6,8-11,13H2,1H3
InChIKeyQOMZDJHNPGITDD-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.28
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]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 2903437) is [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1ccsc1CN1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is QOMZDJHNPGITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-14-7-12-21-16(14)13-18-10-5-15(6-11-18)17(20)19-8-3-2-4-9-19/h7,12,15H,2-6,8-11,13H2,1H3.
What are the key properties of [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 306.47 g/mol, XLogP of 3.28, 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 2903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).