N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide

C15H28N4O — CID 70287484

IUPACN-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCC2=CCCCN2)CC1
InChIInChI=1S/C15H28N4O/c1-14(20)16-7-9-19-12-10-18(11-13-19)8-5-15-4-2-3-6-17-15/h4,17H,2-3,5-13H2,1H3,(H,16,20)
InChIKeyPKHVQYRLVOYYHF-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.40
Rot. Bonds6

About N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide

N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide (PubChem CID 70287484) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide
PubChem CID70287484
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCC2=CCCCN2)CC1
InChIInChI=1S/C15H28N4O/c1-14(20)16-7-9-19-12-10-18(11-13-19)8-5-15-4-2-3-6-17-15/h4,17H,2-3,5-13H2,1H3,(H,16,20)
InChIKeyPKHVQYRLVOYYHF-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide (CID 70287484) is N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CCC2=CCCCN2)CC1.
What is the InChIKey of N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
The InChIKey is PKHVQYRLVOYYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-14(20)16-7-9-19-12-10-18(11-13-19)8-5-15-4-2-3-6-17-15/h4,17H,2-3,5-13H2,1H3,(H,16,20).
What are the key properties of N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide?
N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide has a molecular weight of 280.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(1,2,3,4-tetrahydropyridin-6-yl)ethyl]piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70287484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).