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

C23H25N3O2S — CID 162664711

IUPAC2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O2S/c1-16-10-12-26(13-11-16)15-23(28)24-17-6-8-18(9-7-17)29-21-14-22(27)25-20-5-3-2-4-19(20)21/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyHXJYWVOSFUHUIM-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.35
Rot. Bonds5

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

2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (PubChem CID 162664711) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
PubChem CID162664711
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C23H25N3O2S/c1-16-10-12-26(13-11-16)15-23(28)24-17-6-8-18(9-7-17)29-21-14-22(27)25-20-5-3-2-4-19(20)21/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)(H,25,27)
InChIKeyHXJYWVOSFUHUIM-UHFFFAOYSA-N
XLogP4.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide (CID 162664711) is 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is CC1CCN(CC(=O)Nc2ccc(Sc3cc(=O)[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
The InChIKey is HXJYWVOSFUHUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-10-12-26(13-11-16)15-23(28)24-17-6-8-18(9-7-17)29-21-14-22(27)25-20-5-3-2-4-19(20)21/h2-9,14,16H,10-13,15H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[4-[(2-oxo-1H-quinolin-4-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 162664711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).