[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C22H29N3O — CID 109166421

IUPAC[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N(Cc3ccccc3)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)21-15-20(9-12-23-21)22(26)24-13-10-18(3)11-14-24/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3
InChIKeyLGORGZPAABAHQX-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.37
Rot. Bonds5

About [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109166421) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109166421
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccnc(N(Cc3ccccc3)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)21-15-20(9-12-23-21)22(26)24-13-10-18(3)11-14-24/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3
InChIKeyLGORGZPAABAHQX-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone 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

2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151
2-[benzyl(propan-2-yl)amino]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109175151
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012
[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109125080
azepan-1-yl-[2-[benzyl(propan-2-yl)amino]pyrimidin-4-yl]methanone
CID 109311628
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
N-benzyl-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081809
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 126191918
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109166421) is [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccnc(N(Cc3ccccc3)C(C)C)c2)CC1.
What is the InChIKey of [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is LGORGZPAABAHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)21-15-20(9-12-23-21)22(26)24-13-10-18(3)11-14-24/h4-9,12,15,17-18H,10-11,13-14,16H2,1-3H3.
What are the key properties of [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109166421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).