2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide

C16H26N2OS — CID 16896217

IUPAC2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)15(19)17-11-13-6-8-18(9-7-13)12-14-5-4-10-20-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,17,19)
InChIKeyUDRSBLNIGXELIP-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.12
Rot. Bonds4

About 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide

2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 16896217) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
PubChem CID16896217
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-16(2,3)15(19)17-11-13-6-8-18(9-7-13)12-14-5-4-10-20-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,17,19)
InChIKeyUDRSBLNIGXELIP-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide (CID 16896217) is 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide is CC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is UDRSBLNIGXELIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-16(2,3)15(19)17-11-13-6-8-18(9-7-13)12-14-5-4-10-20-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide?
2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 294.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 16896217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).