3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

C20H27N3O — CID 56713999

IUPAC3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESCN(C)C1CCCN(Cc2cc3cc4c(cc3[nH]c2=O)CCC4)C1
InChIInChI=1S/C20H27N3O/c1-22(2)18-7-4-8-23(13-18)12-17-10-16-9-14-5-3-6-15(14)11-19(16)21-20(17)24/h9-11,18H,3-8,12-13H2,1-2H3,(H,21,24)
InChIKeyUKUUKEAKDTUPTH-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.54
Rot. Bonds3

About 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (PubChem CID 56713999) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
PubChem CID56713999
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESCN(C)C1CCCN(Cc2cc3cc4c(cc3[nH]c2=O)CCC4)C1
InChIInChI=1S/C20H27N3O/c1-22(2)18-7-4-8-23(13-18)12-17-10-16-9-14-5-3-6-15(14)11-19(16)21-20(17)24/h9-11,18H,3-8,12-13H2,1-2H3,(H,21,24)
InChIKeyUKUUKEAKDTUPTH-UHFFFAOYSA-N
XLogP2.54
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one with MolForge

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Related Compounds

3-[[(4S)-4-(dimethylamino)azepan-1-yl]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 95711780
3-[[4-(dimethylamino)azepan-1-yl]methyl]-5,6,7-trimethoxy-1H-quinolin-2-one
CID 56908742
3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
CID 56703710
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
CID 56706969
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 114327278
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
2-[[(3S)-3-(dimethylamino)piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 124907160
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45188775
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 164637157
N-[[1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 56709700

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (CID 56713999) is 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is CN(C)C1CCCN(Cc2cc3cc4c(cc3[nH]c2=O)CCC4)C1.
What is the InChIKey of 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The InChIKey is UKUUKEAKDTUPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22(2)18-7-4-8-23(13-18)12-17-10-16-9-14-5-3-6-15(14)11-19(16)21-20(17)24/h9-11,18H,3-8,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one has a molecular weight of 325.46 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 56713999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).