N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide

C24H27N3O2 — CID 71566979

IUPACN-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cc(=O)n(CC3CCCNC3)c3ccccc23)c1
InChIInChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28)
InChIKeyDQDBUGTUCPVHGY-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.30
Rot. Bonds5

About N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide

N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide (PubChem CID 71566979) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide
PubChem CID71566979
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cc(=O)n(CC3CCCNC3)c3ccccc23)c1
InChIInChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28)
InChIKeyDQDBUGTUCPVHGY-UHFFFAOYSA-N
XLogP3.30
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide (CID 71566979) is N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2cc(=O)n(CC3CCCNC3)c3ccccc23)c1.
What is the InChIKey of N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide?
The InChIKey is DQDBUGTUCPVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(28)26-15-18-6-4-8-20(12-18)22-13-24(29)27(16-19-7-5-11-25-14-19)23-10-3-2-9-21(22)23/h2-4,6,8-10,12-13,19,25H,5,7,11,14-16H2,1H3,(H,26,28).
What are the key properties of N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide?
N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-oxo-1-(piperidin-3-ylmethyl)quinolin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 71566979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).