N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide

C17H26N2O2S — CID 51164347

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)(CNC(=O)CCC(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C17H26N2O2S/c1-17(2,19-10-4-3-5-11-19)13-18-16(21)9-8-14(20)15-7-6-12-22-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,21)
InChIKeyPNWJPNWQMGRPLV-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.09
Rot. Bonds7

About N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 51164347) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID51164347
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCC(C)(CNC(=O)CCC(=O)c1cccs1)N1CCCCC1
InChIInChI=1S/C17H26N2O2S/c1-17(2,19-10-4-3-5-11-19)13-18-16(21)9-8-14(20)15-7-6-12-22-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,21)
InChIKeyPNWJPNWQMGRPLV-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-thiophen-2-ylpentanamide
CID 110303146
4-(2-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-4-oxobutanamide
CID 110622566
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
4-oxo-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 47014546
N-(2-methyl-2-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 47005477
3-(2-methoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51164305
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(thiophene-2-carbonyl)benzamide
CID 46635222
N-(2,2-dimethoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796357
3-(4-fluorophenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110622499
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110413894
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 51164347) is N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide is CC(C)(CNC(=O)CCC(=O)c1cccs1)N1CCCCC1.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is PNWJPNWQMGRPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-17(2,19-10-4-3-5-11-19)13-18-16(21)9-8-14(20)15-7-6-12-22-15/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 322.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51164347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).