(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C22H24ClN3O4 — CID 74229518

IUPAC(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3C(=O)O[C@H](c4ccccc4)[C@@H]3C)CC2)cc(Cl)n1
InChIInChI=1S/C22H24ClN3O4/c1-14-20(15-6-4-3-5-7-15)30-22(28)26(14)17-8-10-25(11-9-17)21(27)16-12-18(23)24-19(13-16)29-2/h3-7,12-14,17,20H,8-11H2,1-2H3/t14-,20-/m0/s1
InChIKeyZCHDBHWBHOFIOO-XOBRGWDASA-N
MW429.90 g/mol
LogP3.93
Rot. Bonds4

About (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 74229518) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID74229518
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3C(=O)O[C@H](c4ccccc4)[C@@H]3C)CC2)cc(Cl)n1
InChIInChI=1S/C22H24ClN3O4/c1-14-20(15-6-4-3-5-7-15)30-22(28)26(14)17-8-10-25(11-9-17)21(27)16-12-18(23)24-19(13-16)29-2/h3-7,12-14,17,20H,8-11H2,1-2H3/t14-,20-/m0/s1
InChIKeyZCHDBHWBHOFIOO-XOBRGWDASA-N
XLogP3.93
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3874973
4-methyl-5-phenyl-3-[1-(2,4,5-trifluoro-3-methoxybenzoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3869157
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3643779
(4S,5R)-3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74224687
(4R,5S)-4-methyl-3-[1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23996982
(4S,5R)-3-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74225021
N-(4-methoxy-2-methylphenyl)-4-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
CID 3815274
(4S,5R)-4-methyl-3-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23733118
4-methyl-3-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 4992744
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
4-methyl-5-phenyl-3-[1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811548
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 74229518) is (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is COc1cc(C(=O)N2CCC(N3C(=O)O[C@H](c4ccccc4)[C@@H]3C)CC2)cc(Cl)n1.
What is the InChIKey of (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZCHDBHWBHOFIOO-XOBRGWDASA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-14-20(15-6-4-3-5-7-15)30-22(28)26(14)17-8-10-25(11-9-17)21(27)16-12-18(23)24-19(13-16)29-2/h3-7,12-14,17,20H,8-11H2,1-2H3/t14-,20-/m0/s1.
What are the key properties of (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 429.90 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 74229518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).