2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide

C15H26N4O — CID 63339432

IUPAC2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCC(C#N)N1CCN(CC(=O)N(CC)C2CC2)CC1
InChIInChI=1S/C15H26N4O/c1-3-13(11-16)18-9-7-17(8-10-18)12-15(20)19(4-2)14-5-6-14/h13-14H,3-10,12H2,1-2H3
InChIKeyMOCITBFONKRKEM-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.92
Rot. Bonds6

About 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide

2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (PubChem CID 63339432) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
PubChem CID63339432
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
SMILESCCC(C#N)N1CCN(CC(=O)N(CC)C2CC2)CC1
InChIInChI=1S/C15H26N4O/c1-3-13(11-16)18-9-7-17(8-10-18)12-15(20)19(4-2)14-5-6-14/h13-14H,3-10,12H2,1-2H3
InChIKeyMOCITBFONKRKEM-UHFFFAOYSA-N
XLogP0.92
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63336169
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-methylacetamide
CID 63339132
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63341914
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
propan-2-yl 2-[4-(1-cyanopropyl)piperazin-1-yl]acetate
CID 63339566
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 63339437
2-[4-(2,2-difluoroethyl)piperazin-1-yl]butanenitrile
CID 55219345
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]butanenitrile
CID 63339955
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-cyclopropyl-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 43348717
ethyl 2-[4-(1-cyanopropyl)piperazin-1-yl]pentanoate
CID 83041873
N-cyclopropyl-N-ethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide (CID 63339432) is 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide is CCC(C#N)N1CCN(CC(=O)N(CC)C2CC2)CC1.
What is the InChIKey of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is MOCITBFONKRKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-13(11-16)18-9-7-17(8-10-18)12-15(20)19(4-2)14-5-6-14/h13-14H,3-10,12H2,1-2H3.
What are the key properties of 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide?
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 278.40 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanopropyl)piperazin-1-yl]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 63339432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).