3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide

C19H25N3O2S — CID 56721507

IUPAC3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ccc2cc(CN3CCCC(CCC(N)=O)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O2S/c1-25-16-6-5-14-9-15(19(24)21-17(14)10-16)12-22-8-2-3-13(11-22)4-7-18(20)23/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyHGCSIZTXOPXRHF-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.73
Rot. Bonds6

About 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide

3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 56721507) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide
PubChem CID56721507
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide
SMILESCSc1ccc2cc(CN3CCCC(CCC(N)=O)C3)c(=O)[nH]c2c1
InChIInChI=1S/C19H25N3O2S/c1-25-16-6-5-14-9-15(19(24)21-17(14)10-16)12-22-8-2-3-13(11-22)4-7-18(20)23/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeyHGCSIZTXOPXRHF-UHFFFAOYSA-N
XLogP2.73
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide 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

methyl 1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 56719378
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700
3-[(3R)-1-[(2-ethylphenyl)methyl]piperidin-3-yl]propanamide
CID 95716606
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95210664
7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide (CID 56721507) is 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide is CSc1ccc2cc(CN3CCCC(CCC(N)=O)C3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide?
The InChIKey is HGCSIZTXOPXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-25-16-6-5-14-9-15(19(24)21-17(14)10-16)12-22-8-2-3-13(11-22)4-7-18(20)23/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide?
3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 359.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 56721507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).