(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one

C20H23ClN2O2 — CID 121410440

IUPAC(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESCOc1nc(Cl)ccc1[C@@]1(C)CCCN([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H23ClN2O2/c1-14(15-8-5-4-6-9-15)23-13-7-12-20(2,19(23)24)16-10-11-17(21)22-18(16)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3/t14-,20+/m0/s1
InChIKeyHHAMUPDAYNHMTO-VBKZILBWSA-N
MW358.87 g/mol
LogP4.38
Rot. Bonds4

About (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one

(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one (PubChem CID 121410440) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
PubChem CID121410440
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
SMILESCOc1nc(Cl)ccc1[C@@]1(C)CCCN([C@@H](C)c2ccccc2)C1=O
InChIInChI=1S/C20H23ClN2O2/c1-14(15-8-5-4-6-9-15)23-13-7-12-20(2,19(23)24)16-10-11-17(21)22-18(16)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3/t14-,20+/m0/s1
InChIKeyHHAMUPDAYNHMTO-VBKZILBWSA-N
XLogP4.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The IUPAC name of (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one (CID 121410440) is (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one is COc1nc(Cl)ccc1[C@@]1(C)CCCN([C@@H](C)c2ccccc2)C1=O.
What is the InChIKey of (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
The InChIKey is HHAMUPDAYNHMTO-VBKZILBWSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(15-8-5-4-6-9-15)23-13-7-12-20(2,19(23)24)16-10-11-17(21)22-18(16)25-3/h4-6,8-11,14H,7,12-13H2,1-3H3/t14-,20+/m0/s1.
What are the key properties of (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one?
(3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one has a molecular weight of 358.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloro-2-methoxy-3-pyridinyl)-3-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 121410440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).