3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide

C20H27N3O — CID 97209684

IUPAC3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)CC[C@H]1CCCCN1C
InChIInChI=1S/C20H27N3O/c1-15-8-10-19-17(7-5-12-21-19)18(15)14-22-20(24)11-9-16-6-3-4-13-23(16)2/h5,7-8,10,12,16H,3-4,6,9,11,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyBSYHCAHOKNQFFX-MRXNPFEDSA-N
MW325.46 g/mol
LogP3.42
Rot. Bonds5

About 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide

3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide (PubChem CID 97209684) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
PubChem CID97209684
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
SMILESCc1ccc2ncccc2c1CNC(=O)CC[C@H]1CCCCN1C
InChIInChI=1S/C20H27N3O/c1-15-8-10-19-17(7-5-12-21-19)18(15)14-22-20(24)11-9-16-6-3-4-13-23(16)2/h5,7-8,10,12,16H,3-4,6,9,11,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyBSYHCAHOKNQFFX-MRXNPFEDSA-N
XLogP3.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97201806
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
(2S)-2-[cyclohexyl(methyl)amino]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 125178048
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(6-methylquinolin-5-yl)methyl]acetamide
CID 77093980
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
4-[[1-[(6-methylquinolin-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 77083947

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The IUPAC name of 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide (CID 97209684) is 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The canonical SMILES for 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide is Cc1ccc2ncccc2c1CNC(=O)CC[C@H]1CCCCN1C.
What is the InChIKey of 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
The InChIKey is BSYHCAHOKNQFFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15-8-10-19-17(7-5-12-21-19)18(15)14-22-20(24)11-9-16-6-3-4-13-23(16)2/h5,7-8,10,12,16H,3-4,6,9,11,13-14H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide?
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide has a molecular weight of 325.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide is sourced from PubChem (CID 97209684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).