(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one

C17H20Cl2N2O3 — CID 164630559

IUPAC(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C17H20Cl2N2O3/c18-13-2-1-11(9-14(13)19)10-24-12-5-7-21(8-6-12)17(23)15-3-4-16(22)20-15/h1-2,9,12,15H,3-8,10H2,(H,20,22)/t15-/m0/s1
InChIKeyNFYAMZYZEGGLDR-HNNXBMFYSA-N
MW371.26 g/mol
LogP2.78
Rot. Bonds4

About (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 164630559) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID164630559
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C17H20Cl2N2O3/c18-13-2-1-11(9-14(13)19)10-24-12-5-7-21(8-6-12)17(23)15-3-4-16(22)20-15/h1-2,9,12,15H,3-8,10H2,(H,20,22)/t15-/m0/s1
InChIKeyNFYAMZYZEGGLDR-HNNXBMFYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one (CID 164630559) is (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)N1.
What is the InChIKey of (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NFYAMZYZEGGLDR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-13-2-1-11(9-14(13)19)10-24-12-5-7-21(8-6-12)17(23)15-3-4-16(22)20-15/h1-2,9,12,15H,3-8,10H2,(H,20,22)/t15-/m0/s1.
What are the key properties of (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 371.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-[(3,4-dichlorophenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 164630559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).