2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile

C15H27N3O — CID 63912431

IUPAC2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCOC1CCN(CC(C#N)(NC(C)C)C2CC2)CC1
InChIInChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18-8-6-14(19-3)7-9-18/h12-14,17H,4-9,11H2,1-3H3
InChIKeyCNYAFIHOKYLEBN-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.77
Rot. Bonds6

About 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63912431) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
PubChem CID63912431
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCOC1CCN(CC(C#N)(NC(C)C)C2CC2)CC1
InChIInChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18-8-6-14(19-3)7-9-18/h12-14,17H,4-9,11H2,1-3H3
InChIKeyCNYAFIHOKYLEBN-UHFFFAOYSA-N
XLogP1.77
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
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
2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
CID 63906865
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727272
2-cyclopropyl-3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propanenitrile
CID 63971203
1-[2-cyano-2-cyclopropyl-2-(propan-2-ylamino)ethyl]-N-methylpiperidine-3-carboxamide
CID 103198001
2-cyclopropyl-3-imidazol-1-yl-2-(propan-2-ylamino)propanenitrile
CID 63906457
2-cyclopropyl-3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-(propan-2-ylamino)propanenitrile
CID 64836840
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propanenitrile
CID 63907007
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
CID 63905645
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile (CID 63912431) is 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile is COC1CCN(CC(C#N)(NC(C)C)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is CNYAFIHOKYLEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)17-15(10-16,13-4-5-13)11-18-8-6-14(19-3)7-9-18/h12-14,17H,4-9,11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 265.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63912431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).