2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone

C15H24N2OS — CID 60673756

IUPAC2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
SMILESCC(C)C(NCC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-12(2)15(13-7-6-10-19-13)16-11-14(18)17-8-4-3-5-9-17/h6-7,10,12,15-16H,3-5,8-9,11H2,1-2H3
InChIKeyKMCAPSZHLWXILN-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.05
Rot. Bonds5

About 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone

2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone (PubChem CID 60673756) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
PubChem CID60673756
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
SMILESCC(C)C(NCC(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C15H24N2OS/c1-12(2)15(13-7-6-10-19-13)16-11-14(18)17-8-4-3-5-9-17/h6-7,10,12,15-16H,3-5,8-9,11H2,1-2H3
InChIKeyKMCAPSZHLWXILN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 115578693
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
1-(4-methylpiperazin-1-yl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanone
CID 81407978
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9132808
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-1-thiophen-2-ylpropan-1-amine
CID 43768332

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone (CID 60673756) is 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone is CC(C)C(NCC(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is KMCAPSZHLWXILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)15(13-7-6-10-19-13)16-11-14(18)17-8-4-3-5-9-17/h6-7,10,12,15-16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone?
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 280.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 60673756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).