1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile

C15H22N4O — CID 103203111

IUPAC1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile
SMILESCC(NCc1cc(C#N)n(C)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N4O/c1-12(15(20)19-6-4-3-5-7-19)17-10-13-8-14(9-16)18(2)11-13/h8,11-12,17H,3-7,10H2,1-2H3
InChIKeyPDWSLZUIFRNUOX-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.39
Rot. Bonds4

About 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile

1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile (PubChem CID 103203111) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile
PubChem CID103203111
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile
SMILESCC(NCc1cc(C#N)n(C)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H22N4O/c1-12(15(20)19-6-4-3-5-7-19)17-10-13-8-14(9-16)18(2)11-13/h8,11-12,17H,3-7,10H2,1-2H3
InChIKeyPDWSLZUIFRNUOX-UHFFFAOYSA-N
XLogP1.39
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile with MolForge

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Related Compounds

5-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]thiophene-3-carbonitrile
CID 79552920
2-fluoro-3-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 107114790
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
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
2-[3-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]phenoxy]acetonitrile
CID 115625474

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile (CID 103203111) is 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile is CC(NCc1cc(C#N)n(C)c1)C(=O)N1CCCCC1.
What is the InChIKey of 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile?
The InChIKey is PDWSLZUIFRNUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(15(20)19-6-4-3-5-7-19)17-10-13-8-14(9-16)18(2)11-13/h8,11-12,17H,3-7,10H2,1-2H3.
What are the key properties of 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile?
1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 103203111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).