2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone

C22H33N3O — CID 67442460

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone
SMILESCc1cccc(C)c1C=CC1CCN(C(=O)CN2CCC[C@H](N)C2)CC1
InChIInChI=1S/C22H33N3O/c1-17-5-3-6-18(2)21(17)9-8-19-10-13-25(14-11-19)22(26)16-24-12-4-7-20(23)15-24/h3,5-6,8-9,19-20H,4,7,10-16,23H2,1-2H3/t20-/m0/s1
InChIKeyCGXPCNJFCHPXQF-FQEVSTJZSA-N
MW355.53 g/mol
LogP2.98
Rot. Bonds4

About 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone

2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone (PubChem CID 67442460) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone
PubChem CID67442460
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone
SMILESCc1cccc(C)c1C=CC1CCN(C(=O)CN2CCC[C@H](N)C2)CC1
InChIInChI=1S/C22H33N3O/c1-17-5-3-6-18(2)21(17)9-8-19-10-13-25(14-11-19)22(26)16-24-12-4-7-20(23)15-24/h3,5-6,8-9,19-20H,4,7,10-16,23H2,1-2H3/t20-/m0/s1
InChIKeyCGXPCNJFCHPXQF-FQEVSTJZSA-N
XLogP2.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]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

Related Compounds

1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 51003459
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 10000480
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 10366310
1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 67444746
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-amino-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 67442232
1-[4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-1-yl]-2-(1,4-oxazepan-4-yl)ethanone
CID 59686376
1-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]-2-[methyl(oxan-4-yl)amino]ethanone;hydrochloride
CID 67442441
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
(4-amino-1,1-dioxothian-4-yl)-[4-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]methanone
CID 10340371
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 102977293
bis[1-[2-[4-[2-(4-chlorophenyl)ethenyl]piperidin-1-yl]-2-oxoethyl]piperidin-3-yl] oxalate
CID 67510954

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone (CID 67442460) is 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone is Cc1cccc(C)c1C=CC1CCN(C(=O)CN2CCC[C@H](N)C2)CC1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone?
The InChIKey is CGXPCNJFCHPXQF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H33N3O/c1-17-5-3-6-18(2)21(17)9-8-19-10-13-25(14-11-19)22(26)16-24-12-4-7-20(23)15-24/h3,5-6,8-9,19-20H,4,7,10-16,23H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone?
2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone has a molecular weight of 355.53 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-1-[4-[2-(2,6-dimethylphenyl)ethenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 67442460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).