1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide

C16H28N4O — CID 103198001

IUPAC1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(C#N)(NC(C)C)C2CC2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-16(10-17,14-6-7-14)11-20-8-4-5-13(9-20)15(21)18-3/h12-14,19H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyJDAFULFIVKXUTO-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.11
Rot. Bonds6

About 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide

1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103198001) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID103198001
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(CC(C#N)(NC(C)C)C2CC2)C1
InChIInChI=1S/C16H28N4O/c1-12(2)19-16(10-17,14-6-7-14)11-20-8-4-5-13(9-20)15(21)18-3/h12-14,19H,4-9,11H2,1-3H3,(H,18,21)
InChIKeyJDAFULFIVKXUTO-UHFFFAOYSA-N
XLogP1.11
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3,4-dimethylpyrrolidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 79184760
1-[2-cyano-2-cyclopropyl-2-(cyclopropylamino)ethyl]piperidine-3-carboxamide
CID 63915230
1-(5-cyano-5-methylhexyl)-N-methylpiperidine-3-carboxamide
CID 106710159
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63912431
methyl 2-hydroxy-2-methyl-3-[3-(methylcarbamoyl)piperidin-1-yl]propanoate
CID 103196579
2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906865
1-[2-(bromomethyl)-3,3-dimethylbutyl]-N-methylpiperidine-3-carboxamide
CID 103197800
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
1-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 143767660
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
CID 63906457
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 64836840

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide (CID 103198001) is 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(CC(C#N)(NC(C)C)C2CC2)C1.
What is the InChIKey of 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is JDAFULFIVKXUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)19-16(10-17,14-6-7-14)11-20-8-4-5-13(9-20)15(21)18-3/h12-14,19H,4-9,11H2,1-3H3,(H,18,21).
What are the key properties of 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide?
1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103198001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).