6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

C20H28ClN3O2 — CID 163200053

IUPAC6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cccc(Cl)c2)C1
InChIInChI=1S/C20H28ClN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18+,19?/m1/s1
InChIKeyJRNVLTGVKWNWPF-SIBREGTBSA-N
MW377.92 g/mol
LogP2.80
Rot. Bonds3

About 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one

6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (PubChem CID 163200053) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
PubChem CID163200053
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one
SMILESC[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cccc(Cl)c2)C1
InChIInChI=1S/C20H28ClN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18+,19?/m1/s1
InChIKeyJRNVLTGVKWNWPF-SIBREGTBSA-N
XLogP2.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The IUPAC name of 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one (CID 163200053) is 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The canonical SMILES for 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is C[C@@H]1COCCN1C1CC(=O)NC(N2CCC[C@H]2c2cccc(Cl)c2)C1.
What is the InChIKey of 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
The InChIKey is JRNVLTGVKWNWPF-SIBREGTBSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14-13-26-9-8-23(14)17-11-19(22-20(25)12-17)24-7-3-6-18(24)15-4-2-5-16(21)10-15/h2,4-5,10,14,17-19H,3,6-9,11-13H2,1H3,(H,22,25)/t14-,17?,18+,19?/m1/s1.
What are the key properties of 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one?
6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one has a molecular weight of 377.92 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(3-chlorophenyl)pyrrolidin-1-yl]-4-[(3R)-3-methylmorpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163200053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).