piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone

C21H24N2O — CID 164550223

IUPACpiperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCc3ccccc3N2)cc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-14-4-1-5-15-23)18-10-8-17(9-11-18)20-13-12-16-6-2-3-7-19(16)22-20/h2-3,6-11,20,22H,1,4-5,12-15H2
InChIKeyLRSIMNSKDKBWDG-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.41
Rot. Bonds2

About piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone

piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone (PubChem CID 164550223) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
PubChem CID164550223
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Namepiperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2CCc3ccccc3N2)cc1)N1CCCCC1
InChIInChI=1S/C21H24N2O/c24-21(23-14-4-1-5-15-23)18-10-8-17(9-11-18)20-13-12-16-6-2-3-7-19(16)22-20/h2-3,6-11,20,22H,1,4-5,12-15H2
InChIKeyLRSIMNSKDKBWDG-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
3-(1,2,3,4-tetrahydroquinolin-2-yl)benzamide
CID 164550217
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008558
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 58485443
(4-cyclohexylpiperazin-1-yl)-[4-[(3R)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]phenyl]methanone
CID 92876182
N-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanesulfonamide
CID 164550194
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
CID 42592489
oxetan-2-yl-[4-(4-spiro[2,4-dihydro-1H-quinoline-3,1'-cycloundecane]-2-ylbenzoyl)piperazin-1-yl]methanone
CID 166649885
[4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 42929862

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone (CID 164550223) is piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone is O=C(c1ccc(C2CCc3ccccc3N2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone?
The InChIKey is LRSIMNSKDKBWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(23-14-4-1-5-15-23)18-10-8-17(9-11-18)20-13-12-16-6-2-3-7-19(16)22-20/h2-3,6-11,20,22H,1,4-5,12-15H2.
What are the key properties of piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone?
piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone has a molecular weight of 320.44 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone is sourced from PubChem (CID 164550223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).