N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide

C15H26N4O — CID 70291390

IUPACN-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(C)C2CC=CC=N2)CC1
InChIInChI=1S/C15H26N4O/c1-13(15-5-3-4-6-17-15)19-11-9-18(10-12-19)8-7-16-14(2)20/h3-4,6,13,15H,5,7-12H2,1-2H3,(H,16,20)
InChIKeyUGWFFELVUPESFT-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.53
Rot. Bonds5

About N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 70291390) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide
PubChem CID70291390
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(C(C)C2CC=CC=N2)CC1
InChIInChI=1S/C15H26N4O/c1-13(15-5-3-4-6-17-15)19-11-9-18(10-12-19)8-7-16-14(2)20/h3-4,6,13,15H,5,7-12H2,1-2H3,(H,16,20)
InChIKeyUGWFFELVUPESFT-UHFFFAOYSA-N
XLogP0.53
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide (CID 70291390) is N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(C(C)C2CC=CC=N2)CC1.
What is the InChIKey of N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is UGWFFELVUPESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(15-5-3-4-6-17-15)19-11-9-18(10-12-19)8-7-16-14(2)20/h3-4,6,13,15H,5,7-12H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(2,3-dihydropyridin-2-yl)ethyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70291390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).