(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one

C20H23N3O2 — CID 129488364

IUPAC(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
SMILESCC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H23N3O2/c1-20(2)17(22-19(20)25)13-7-9-23(10-8-13)18(24)15-11-14-5-3-4-6-16(14)21-12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyPLQAXHQCARGLJX-KRWDZBQOSA-N
MW337.42 g/mol
LogP2.61
Rot. Bonds2

About (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one

(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one (PubChem CID 129488364) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
PubChem CID129488364
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
SMILESCC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C20H23N3O2/c1-20(2)17(22-19(20)25)13-7-9-23(10-8-13)18(24)15-11-14-5-3-4-6-16(14)21-12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyPLQAXHQCARGLJX-KRWDZBQOSA-N
XLogP2.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110907
(4aS,8aS)-6-(quinoline-3-carbonyl)-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147216
1-methyl-2-oxo-8-(quinoline-3-carbonyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72837196
3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
CID 128539854
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-quinolin-3-ylmethanone
CID 155502249
N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132999
7,7-difluoro-9-(quinoline-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131695009
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
[(4aS,8aS)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-quinolin-3-ylmethanone
CID 97363098
pyrrolidin-1-yl-[(2S)-1-(quinoline-3-carbonyl)piperazin-2-yl]methanone
CID 95723967
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
2-phenyl-1-pyridin-2-yl-7-(quinoline-3-carbonyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 24953977

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one?
The IUPAC name of (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one (CID 129488364) is (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one.
What is the SMILES notation for (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one?
The canonical SMILES for (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one is CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cnc3ccccc3c2)CC1.
What is the InChIKey of (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one?
The InChIKey is PLQAXHQCARGLJX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2)17(22-19(20)25)13-7-9-23(10-8-13)18(24)15-11-14-5-3-4-6-16(14)21-12-15/h3-6,11-13,17H,7-10H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one?
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one is sourced from PubChem (CID 129488364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).