5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile

C14H19N3OS — CID 79552920

IUPAC5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-11(14(18)17-5-3-2-4-6-17)16-9-13-7-12(8-15)10-19-13/h7,10-11,16H,2-6,9H2,1H3
InChIKeyMDUGGFZZTDPDMB-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.11
Rot. Bonds4

About 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile

5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile (PubChem CID 79552920) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
PubChem CID79552920
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
SMILESCC(NCc1cc(C#N)cs1)C(=O)N1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-11(14(18)17-5-3-2-4-6-17)16-9-13-7-12(8-15)10-19-13/h7,10-11,16H,2-6,9H2,1H3
InChIKeyMDUGGFZZTDPDMB-UHFFFAOYSA-N
XLogP2.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carboxamide
CID 79614623
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
3-fluoro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 115615985
3-chloro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 102665017
1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile
CID 103203111
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
1-(azepan-1-yl)-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propan-1-one
CID 61207981
5-[(1-cyclobutylethylamino)methyl]thiophene-3-carbonitrile
CID 115768375
5-[(4-methylpentan-2-ylamino)methyl]thiophene-3-carbonitrile
CID 79614341
2-fluoro-3-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 107114790
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]pyrrolidine-1-carboxamide
CID 79161253

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile?
The IUPAC name of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile (CID 79552920) is 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile.
What is the SMILES notation for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile?
The canonical SMILES for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile is CC(NCc1cc(C#N)cs1)C(=O)N1CCCCC1.
What is the InChIKey of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile?
The InChIKey is MDUGGFZZTDPDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(14(18)17-5-3-2-4-6-17)16-9-13-7-12(8-15)10-19-13/h7,10-11,16H,2-6,9H2,1H3.
What are the key properties of 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile?
5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile has a molecular weight of 277.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile is sourced from PubChem (CID 79552920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).