3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione

C16H17ClN2O2 — CID 731400

IUPAC3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione
SMILESC[C@H]1CCCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H17ClN2O2/c1-11-6-5-9-18(10-11)14-13(17)15(20)19(16(14)21)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyNPHROGAXUZKCIK-NSHDSACASA-N
MW304.78 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione

3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione (PubChem CID 731400) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione
PubChem CID731400
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione
SMILESC[C@H]1CCCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C16H17ClN2O2/c1-11-6-5-9-18(10-11)14-13(17)15(20)19(16(14)21)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1
InChIKeyNPHROGAXUZKCIK-NSHDSACASA-N
XLogP2.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 779239
3-chloro-1-(2,5-dichlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 2791459
3-chloro-1-(4-iodo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 3373886
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567152
4-[3-(3-methylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
CID 110561194
1-(3-chloro-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560573
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562155
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
CID 138976955
1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567081
3-chloro-1-(4-methylphenyl)-4-[(3S)-3-methylpiperazin-1-yl]pyrrole-2,5-dione
CID 16654842
3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110543076
1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione (CID 731400) is 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione is C[C@H]1CCCN(C2=C(Cl)C(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione?
The InChIKey is NPHROGAXUZKCIK-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-6-5-9-18(10-11)14-13(17)15(20)19(16(14)21)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3/t11-/m0/s1.
What are the key properties of 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione?
3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione has a molecular weight of 304.78 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3S)-3-methylpiperidin-1-yl]-1-phenylpyrrole-2,5-dione is sourced from PubChem (CID 731400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).