(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one

C23H27N3O3 — CID 141370613

IUPAC(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)nc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-3-6-18(7-4-15)29-19-9-11-26(12-10-19)23(28)17-5-8-20(24-14-17)21-16(2)13-25-22(21)27/h3-8,14,16,19,21H,9-13H2,1-2H3,(H,25,27)/t16?,21-/m1/s1
InChIKeyDLFROQXLOUYPEJ-CAWMZFRYSA-N
MW393.49 g/mol
LogP2.92
Rot. Bonds4

About (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one

(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 141370613) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one
PubChem CID141370613
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one
SMILESCc1ccc(OC2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)nc3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-15-3-6-18(7-4-15)29-19-9-11-26(12-10-19)23(28)17-5-8-20(24-14-17)21-16(2)13-25-22(21)27/h3-8,14,16,19,21H,9-13H2,1-2H3,(H,25,27)/t16?,21-/m1/s1
InChIKeyDLFROQXLOUYPEJ-CAWMZFRYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one (CID 141370613) is (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one is Cc1ccc(OC2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)nc3)CC2)cc1.
What is the InChIKey of (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is DLFROQXLOUYPEJ-CAWMZFRYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-3-6-18(7-4-15)29-19-9-11-26(12-10-19)23(28)17-5-8-20(24-14-17)21-16(2)13-25-22(21)27/h3-8,14,16,19,21H,9-13H2,1-2H3,(H,25,27)/t16?,21-/m1/s1.
What are the key properties of (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one?
(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 141370613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).