1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

C24H30N4O3 — CID 118738179

IUPAC1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-19-10-11-25-22(17-19)26-13-15-27(16-14-26)24(30)21-9-5-6-12-28(21)23(29)18-31-20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21H,5-6,9,12-16,18H2,1H3/t21-/m1/s1
InChIKeyREAFXPAESMCULE-OAQYLSRUSA-N
MW422.53 g/mol
LogP2.50
Rot. Bonds5

About 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 118738179) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID118738179
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1
InChIInChI=1S/C24H30N4O3/c1-19-10-11-25-22(17-19)26-13-15-27(16-14-26)24(30)21-9-5-6-12-28(21)23(29)18-31-20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21H,5-6,9,12-16,18H2,1H3/t21-/m1/s1
InChIKeyREAFXPAESMCULE-OAQYLSRUSA-N
XLogP2.50
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (CID 118738179) is 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is Cc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is REAFXPAESMCULE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-19-10-11-25-22(17-19)26-13-15-27(16-14-26)24(30)21-9-5-6-12-28(21)23(29)18-31-20-7-3-2-4-8-20/h2-4,7-8,10-11,17,21H,5-6,9,12-16,18H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 422.53 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(4-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 118738179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).