(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C22H22ClN3O4 — CID 54755119

IUPAC(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C22H22ClN3O4/c1-14-13-30-22(29)26(14)18-6-7-19(24-12-18)21(28)25-10-8-16(9-11-25)20(27)15-2-4-17(23)5-3-15/h2-7,12,14,16H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyUPNXMPLDIBUMFT-CQSZACIVSA-N
MW427.89 g/mol
LogP3.82
Rot. Bonds4

About (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 54755119) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID54755119
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C22H22ClN3O4/c1-14-13-30-22(29)26(14)18-6-7-19(24-12-18)21(28)25-10-8-16(9-11-25)20(27)15-2-4-17(23)5-3-15/h2-7,12,14,16H,8-11,13H2,1H3/t14-/m1/s1
InChIKeyUPNXMPLDIBUMFT-CQSZACIVSA-N
XLogP3.82
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-methyl-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one
CID 67381029
(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484873
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
(4-chlorophenyl)-[1-(1-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 87043000
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181947
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 133360026
5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 123811174
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 54755119) is (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@H]1COC(=O)N1c1ccc(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UPNXMPLDIBUMFT-CQSZACIVSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-14-13-30-22(29)26(14)18-6-7-19(24-12-18)21(28)25-10-8-16(9-11-25)20(27)15-2-4-17(23)5-3-15/h2-7,12,14,16H,8-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?
(4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 427.89 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[6-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 54755119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).