(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C22H29N3O — CID 46291536

IUPAC(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(N3CCCCC3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C22H29N3O/c1-16-7-6-8-19-20(15-17(2)23-21(16)19)22(26)25-13-9-18(10-14-25)24-11-4-3-5-12-24/h6-8,15,18H,3-5,9-14H2,1-2H3
InChIKeyBMEQJBHHRIQITC-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.94
Rot. Bonds2

About (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46291536) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID46291536
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(N3CCCCC3)CC2)c2cccc(C)c2n1
InChIInChI=1S/C22H29N3O/c1-16-7-6-8-19-20(15-17(2)23-21(16)19)22(26)25-13-9-18(10-14-25)24-11-4-3-5-12-24/h6-8,15,18H,3-5,9-14H2,1-2H3
InChIKeyBMEQJBHHRIQITC-UHFFFAOYSA-N
XLogP3.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-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

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
(1S,5R)-3-(2,8-dimethylquinoline-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749102
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
(4-fluoro-2-methylphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 115745976
2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334639

Frequently Asked Questions

What is the IUPAC name of (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 46291536) is (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(N3CCCCC3)CC2)c2cccc(C)c2n1.
What is the InChIKey of (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is BMEQJBHHRIQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-7-6-8-19-20(15-17(2)23-21(16)19)22(26)25-13-9-18(10-14-25)24-11-4-3-5-12-24/h6-8,15,18H,3-5,9-14H2,1-2H3.
What are the key properties of (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46291536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).