2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile

C17H30N4 — CID 63028108

IUPAC2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
SMILESN#CC(CCN1CCC(N2CCCCC2)CC1)NC1CC1
InChIInChI=1S/C17H30N4/c18-14-16(19-15-4-5-15)6-11-20-12-7-17(8-13-20)21-9-2-1-3-10-21/h15-17,19H,1-13H2
InChIKeyGORSZABWVNDETH-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.97
Rot. Bonds6

About 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile

2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile (PubChem CID 63028108) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
PubChem CID63028108
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile
SMILESN#CC(CCN1CCC(N2CCCCC2)CC1)NC1CC1
InChIInChI=1S/C17H30N4/c18-14-16(19-15-4-5-15)6-11-20-12-7-17(8-13-20)21-9-2-1-3-10-21/h15-17,19H,1-13H2
InChIKeyGORSZABWVNDETH-UHFFFAOYSA-N
XLogP1.97
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile (CID 63028108) is 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile is N#CC(CCN1CCC(N2CCCCC2)CC1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile?
The InChIKey is GORSZABWVNDETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c18-14-16(19-15-4-5-15)6-11-20-12-7-17(8-13-20)21-9-2-1-3-10-21/h15-17,19H,1-13H2.
What are the key properties of 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile?
2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile has a molecular weight of 290.45 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 63028108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).