2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide

C24H28N4O2S — CID 162673612

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C24H28N4O2S/c1-27(2)18-11-13-28(14-12-18)16-24(30)25-17-7-9-19(10-8-17)31-22-15-23(29)26-21-6-4-3-5-20(21)22/h3-10,15,18H,11-14,16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyHMBNPOAYMMQYNP-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.64
Rot. Bonds6

About 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide

2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (PubChem CID 162673612) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
PubChem CID162673612
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C24H28N4O2S/c1-27(2)18-11-13-28(14-12-18)16-24(30)25-17-7-9-19(10-8-17)31-22-15-23(29)26-21-6-4-3-5-20(21)22/h3-10,15,18H,11-14,16H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyHMBNPOAYMMQYNP-UHFFFAOYSA-N
XLogP3.64
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide with MolForge

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
CID 162664711
2-(diethylamino)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
CID 162650732
2-[4-(6-fluoro-2-oxo-1H-quinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 169409049
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 112843042
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-2-(1,4,7,10-tetrazacyclododec-1-yl)acetamide
CID 10715191
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (CID 162673612) is 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is CN(C)C1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The InChIKey is HMBNPOAYMMQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-27(2)18-11-13-28(14-12-18)16-24(30)25-17-7-9-19(10-8-17)31-22-15-23(29)26-21-6-4-3-5-20(21)22/h3-10,15,18H,11-14,16H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 162673612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).