N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide

C16H27N3O — CID 70288047

IUPACN-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCC2=CC=CCC2)CC1
InChIInChI=1S/C16H27N3O/c1-15(20)17-8-10-19-13-11-18(12-14-19)9-7-16-5-3-2-4-6-16/h2-3,5H,4,6-14H2,1H3,(H,17,20)
InChIKeyVKDWDZYPUGLEGQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.41
Rot. Bonds6

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

N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70288047) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70288047
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CCC2=CC=CCC2)CC1
InChIInChI=1S/C16H27N3O/c1-15(20)17-8-10-19-13-11-18(12-14-19)9-7-16-5-3-2-4-6-16/h2-3,5H,4,6-14H2,1H3,(H,17,20)
InChIKeyVKDWDZYPUGLEGQ-UHFFFAOYSA-N
XLogP1.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide (CID 70288047) is N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CCC2=CC=CCC2)CC1.
What is the InChIKey of N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is VKDWDZYPUGLEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(20)17-8-10-19-13-11-18(12-14-19)9-7-16-5-3-2-4-6-16/h2-3,5H,4,6-14H2,1H3,(H,17,20).
What are the key properties of N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-cyclohexa-1,3-dien-1-ylethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70288047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).