[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

C20H21N3OS — CID 119559767

IUPAC[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17/h2-7,12-14,21H,8-11H2,1H3
InChIKeyOOYNHOAKYMPIDR-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.79
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (PubChem CID 119559767) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
PubChem CID119559767
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC Name[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
SMILESCNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1
InChIInChI=1S/C20H21N3OS/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17/h2-7,12-14,21H,8-11H2,1H3
InChIKeyOOYNHOAKYMPIDR-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738
ethyl 4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazine-1-carboxylate
CID 35508684
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55501818
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 4584269
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 42470155
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 43981742
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
(4-benzylpiperidin-1-yl)-(6-fluoro-2-thiophen-2-ylquinolin-4-yl)methanone
CID 42750188

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone (CID 119559767) is [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is CNC1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
The InChIKey is OOYNHOAKYMPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-21-14-8-10-23(11-9-14)20(24)16-13-18(19-7-4-12-25-19)22-17-6-3-2-5-15(16)17/h2-7,12-14,21H,8-11H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone?
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 119559767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).