[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H32N4O — CID 133328244

IUPAC[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(C)CNc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-16-8-7-13-24(15-16)17(2)14-22-19-18(9-6-10-21-19)20(25)23-11-4-3-5-12-23/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,21,22)
InChIKeyDWSVUGPHJQEWGM-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.24
Rot. Bonds5

About [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133328244) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133328244
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(C)CNc2ncccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C20H32N4O/c1-16-8-7-13-24(15-16)17(2)14-22-19-18(9-6-10-21-19)20(25)23-11-4-3-5-12-23/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,21,22)
InChIKeyDWSVUGPHJQEWGM-UHFFFAOYSA-N
XLogP3.24
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone 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

N-methyl-2-[2-(3-methylpiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 133328259
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[2-[(2-hydroxy-2,3-dimethylpentyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133352672
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
N-cyclohexyl-3-[[3-(pyrrolidine-1-carbonyl)-2-pyridinyl]amino]propanamide
CID 135089182
propan-2-yl 4-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352908
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133328244) is [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone is CC1CCCN(C(C)CNc2ncccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is DWSVUGPHJQEWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16-8-7-13-24(15-16)17(2)14-22-19-18(9-6-10-21-19)20(25)23-11-4-3-5-12-23/h6,9-10,16-17H,3-5,7-8,11-15H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 344.50 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylpiperidin-1-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133328244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).