(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione

C17H22ClNO2 — CID 176710202

IUPAC(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione
SMILESCCC(CC)c1ccc([C@@]2(C)CCC(=O)NC2=O)cc1Cl
InChIInChI=1S/C17H22ClNO2/c1-4-11(5-2)13-7-6-12(10-14(13)18)17(3)9-8-15(20)19-16(17)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)/t17-/m1/s1
InChIKeyGLJIBGXGQKFHPY-QGZVFWFLSA-N
MW307.82 g/mol
LogP3.94
Rot. Bonds4

About (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione

(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione (PubChem CID 176710202) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione
PubChem CID176710202
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione
SMILESCCC(CC)c1ccc([C@@]2(C)CCC(=O)NC2=O)cc1Cl
InChIInChI=1S/C17H22ClNO2/c1-4-11(5-2)13-7-6-12(10-14(13)18)17(3)9-8-15(20)19-16(17)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)/t17-/m1/s1
InChIKeyGLJIBGXGQKFHPY-QGZVFWFLSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloro-4-pentan-3-ylphenyl)cyclobutyl]methanamine
CID 117418946
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 43155382
3-(6-amino-3-pyridinyl)-3-methylpiperidine-2,6-dione
CID 166552758
(3R)-3-methyl-3-(4-piperidin-4-ylphenyl)piperidine-2,6-dione
CID 170737771
2,4-dichloro-1-pentan-3-ylbenzene
CID 18711414
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
(3S)-3-(3,4-dichlorophenyl)-3-prop-2-enylpiperidine-2,6-dione
CID 24757182
3-[(3R)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11727231
3-[(3S)-3-(3,4-dichlorophenyl)-2,6-dioxopiperidin-3-yl]propanoic acid
CID 11088812
4-(3-chloro-4-pentan-3-ylphenyl)butanoic acid
CID 117425620
1-(3-chloro-4-pentan-3-ylphenyl)propan-2-one
CID 115006083
[1-(3-chloro-4-propan-2-ylphenyl)cyclopropyl]methanol
CID 105424457

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione (CID 176710202) is (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione is CCC(CC)c1ccc([C@@]2(C)CCC(=O)NC2=O)cc1Cl.
What is the InChIKey of (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione?
The InChIKey is GLJIBGXGQKFHPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-4-11(5-2)13-7-6-12(10-14(13)18)17(3)9-8-15(20)19-16(17)21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20,21)/t17-/m1/s1.
What are the key properties of (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione?
(3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione has a molecular weight of 307.82 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chloro-4-pentan-3-ylphenyl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 176710202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).