3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one

C17H23Cl2N3O — CID 67986272

IUPAC3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one
SMILESC[C@H]1CCNC[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C17H23Cl2N3O/c1-11-4-5-20-10-16(11)22-6-2-3-15(17(22)23)21-14-8-12(18)7-13(19)9-14/h7-9,11,15-16,20-21H,2-6,10H2,1H3/t11-,15?,16-/m0/s1
InChIKeyVWQVGWZPOPJJPK-RMZCCROUSA-N
MW356.30 g/mol
LogP3.39
Rot. Bonds3

About 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one

3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one (PubChem CID 67986272) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one
PubChem CID67986272
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one
SMILESC[C@H]1CCNC[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C17H23Cl2N3O/c1-11-4-5-20-10-16(11)22-6-2-3-15(17(22)23)21-14-8-12(18)7-13(19)9-14/h7-9,11,15-16,20-21H,2-6,10H2,1H3/t11-,15?,16-/m0/s1
InChIKeyVWQVGWZPOPJJPK-RMZCCROUSA-N
XLogP3.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one?
The IUPAC name of 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one (CID 67986272) is 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one?
The canonical SMILES for 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one is C[C@H]1CCNC[C@@H]1N1CCCC(Nc2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one?
The InChIKey is VWQVGWZPOPJJPK-RMZCCROUSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-11-4-5-20-10-16(11)22-6-2-3-15(17(22)23)21-14-8-12(18)7-13(19)9-14/h7-9,11,15-16,20-21H,2-6,10H2,1H3/t11-,15?,16-/m0/s1.
What are the key properties of 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one?
3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one has a molecular weight of 356.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloroanilino)-1-[(3R,4S)-4-methylpiperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 67986272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).