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

C17H31N3 — CID 63906865

IUPAC2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCCC1(C)CCN(CC(C#N)(NC(C)C)C2CC2)CC1
InChIInChI=1S/C17H31N3/c1-5-16(4)8-10-20(11-9-16)13-17(12-18,15-6-7-15)19-14(2)3/h14-15,19H,5-11,13H2,1-4H3
InChIKeyWOOBUXXXRXRDAN-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.17
Rot. Bonds6

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

2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile (PubChem CID 63906865) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
PubChem CID63906865
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile
SMILESCCC1(C)CCN(CC(C#N)(NC(C)C)C2CC2)CC1
InChIInChI=1S/C17H31N3/c1-5-16(4)8-10-20(11-9-16)13-17(12-18,15-6-7-15)19-14(2)3/h14-15,19H,5-11,13H2,1-4H3
InChIKeyWOOBUXXXRXRDAN-UHFFFAOYSA-N
XLogP3.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile (CID 63906865) is 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile is CCC1(C)CCN(CC(C#N)(NC(C)C)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is WOOBUXXXRXRDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-16(4)8-10-20(11-9-16)13-17(12-18,15-6-7-15)19-14(2)3/h14-15,19H,5-11,13H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 277.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethyl-4-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63906865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).