(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

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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).