1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone

C16H26N2O — CID 167457003

IUPAC1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=CCCC=C2C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)15-6-4-5-7-16(15)17-14-8-10-18(11-9-14)13(3)19/h6-7,12,14,17H,4-5,8-11H2,1-3H3
InChIKeyRTGPQQOVMVWLLJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.85
Rot. Bonds3

About 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone

1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone (PubChem CID 167457003) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone
PubChem CID167457003
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=CCCC=C2C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)15-6-4-5-7-16(15)17-14-8-10-18(11-9-14)13(3)19/h6-7,12,14,17H,4-5,8-11H2,1-3H3
InChIKeyRTGPQQOVMVWLLJ-UHFFFAOYSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone 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 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone (CID 167457003) is 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2=CCCC=C2C(C)C)CC1.
What is the InChIKey of 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is RTGPQQOVMVWLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-6-4-5-7-16(15)17-14-8-10-18(11-9-14)13(3)19/h6-7,12,14,17H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-propan-2-ylcyclohexa-1,5-dien-1-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 167457003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).