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

C16H26N2O — CID 70284985

IUPACN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CC2=CCCC=C2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h3,5-6,16H,2,4,7-13H2,1H3,(H,17,19)
InChIKeyDIZRABYUIWNMPI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds5

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

N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 70284985) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID70284985
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCC(CC2=CCCC=C2)CC1
InChIInChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h3,5-6,16H,2,4,7-13H2,1H3,(H,17,19)
InChIKeyDIZRABYUIWNMPI-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide (CID 70284985) is N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCC(CC2=CCCC=C2)CC1.
What is the InChIKey of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is DIZRABYUIWNMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14(19)17-9-12-18-10-7-16(8-11-18)13-15-5-3-2-4-6-15/h3,5-6,16H,2,4,7-13H2,1H3,(H,17,19).
What are the key properties of N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide?
N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 70284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).