2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide

C14H20N4OS — CID 115675555

IUPAC2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc(C#N)s2)CC1
InChIInChI=1S/C14H20N4OS/c1-16-14(19)10-18-6-4-11(5-7-18)17-9-13-3-2-12(8-15)20-13/h2-3,11,17H,4-7,9-10H2,1H3,(H,16,19)
InChIKeySKRBNDNHNAOVBF-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide

2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide (PubChem CID 115675555) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
PubChem CID115675555
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccc(C#N)s2)CC1
InChIInChI=1S/C14H20N4OS/c1-16-14(19)10-18-6-4-11(5-7-18)17-9-13-3-2-12(8-15)20-13/h2-3,11,17H,4-7,9-10H2,1H3,(H,16,19)
InChIKeySKRBNDNHNAOVBF-UHFFFAOYSA-N
XLogP0.92
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 102832453
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
5-[[(3,5-dimethylcyclohexyl)amino]methyl]thiophene-2-carbonitrile
CID 115675922
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
(2S)-2-[1-[(5-cyanothiophen-2-yl)methyl]piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490029
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
5-[[[(1S,3R)-3-fluorocyclopentyl]amino]methyl]thiophene-2-carbonitrile
CID 129322683
1-(2-methylprop-2-enyl)-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 119124373
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide (CID 115675555) is 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccc(C#N)s2)CC1.
What is the InChIKey of 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is SKRBNDNHNAOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-16-14(19)10-18-6-4-11(5-7-18)17-9-13-3-2-12(8-15)20-13/h2-3,11,17H,4-7,9-10H2,1H3,(H,16,19).
What are the key properties of 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 292.41 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyanothiophen-2-yl)methylamino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 115675555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).