N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide

C15H25N3O — CID 70289722

IUPACN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C15H25N3O/c1-14(19)16-7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h3,5-6H,2,4,7-13H2,1H3,(H,16,19)
InChIKeyHHVTVLAZONGYFX-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.02
Rot. Bonds5

About N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 70289722) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide
PubChem CID70289722
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(CC2=CCCC=C2)CC1
InChIInChI=1S/C15H25N3O/c1-14(19)16-7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h3,5-6H,2,4,7-13H2,1H3,(H,16,19)
InChIKeyHHVTVLAZONGYFX-UHFFFAOYSA-N
XLogP1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide (CID 70289722) is N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(CC2=CCCC=C2)CC1.
What is the InChIKey of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is HHVTVLAZONGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-14(19)16-7-8-17-9-11-18(12-10-17)13-15-5-3-2-4-6-15/h3,5-6H,2,4,7-13H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70289722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).