2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

C16H29N3O — CID 107394663

IUPAC2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCCC(C)(OC)C1)C1CC1
InChIInChI=1S/C16H29N3O/c1-4-9-18-16(11-17,14-6-7-14)13-19-10-5-8-15(2,12-19)20-3/h14,18H,4-10,12-13H2,1-3H3
InChIKeyRYQBPLLWUWEGLI-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.16
Rot. Bonds7

About 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (PubChem CID 107394663) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
PubChem CID107394663
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN1CCCC(C)(OC)C1)C1CC1
InChIInChI=1S/C16H29N3O/c1-4-9-18-16(11-17,14-6-7-14)13-19-10-5-8-15(2,12-19)20-3/h14,18H,4-10,12-13H2,1-3H3
InChIKeyRYQBPLLWUWEGLI-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394710
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
2-cyclopropyl-3-(4,4-dimethylazepan-1-yl)-2-(ethylamino)propanenitrile
CID 65282324
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 107395195
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160
2-cyclopropyl-3-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)propanenitrile
CID 63912507
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 107395999
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394634
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 107395980

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile (CID 107394663) is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)(CN1CCCC(C)(OC)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is RYQBPLLWUWEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-9-18-16(11-17,14-6-7-14)13-19-10-5-8-15(2,12-19)20-3/h14,18H,4-10,12-13H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 279.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 107394663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).