N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C16H25N3O2S — CID 51092774

IUPACN-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)C(C)NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-19-8-6-13(7-9-19)11-17-15(20)12(2)18-16(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCHSCKZLYJQJERD-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.71
Rot. Bonds6

About N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 51092774) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID51092774
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESCCN1CCC(CNC(=O)C(C)NC(=O)c2cccs2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-19-8-6-13(7-9-19)11-17-15(20)12(2)18-16(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyCHSCKZLYJQJERD-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methylamino]propan-2-yl]thiophene-2-carboxamide
CID 49056517
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thiophene-2-carboxamide
CID 51305133
N-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119474452
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
N-[(1S,2R)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiophene-2-carboxamide
CID 28821030
N-[(2S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 41236792
(2R)-2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 79012313
3-methoxy-4-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid
CID 103152904
methyl 3-methyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoate
CID 43409419
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 51092774) is N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is CCN1CCC(CNC(=O)C(C)NC(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is CHSCKZLYJQJERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-19-8-6-13(7-9-19)11-17-15(20)12(2)18-16(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpiperidin-4-yl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51092774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).