1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C22H29N5O2 — CID 67508121

IUPAC1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1
InChIInChI=1S/C22H29N5O2/c1-17-13-18(2)22(24-15-17)19-3-4-23-20(14-19)26-5-7-27(8-6-26)21(28)16-25-9-11-29-12-10-25/h3-4,13-15H,5-12,16H2,1-2H3
InChIKeyFTYKQFRIBQFJJV-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.74
Rot. Bonds4

About 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 67508121) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID67508121
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1
InChIInChI=1S/C22H29N5O2/c1-17-13-18(2)22(24-15-17)19-3-4-23-20(14-19)26-5-7-27(8-6-26)21(28)16-25-9-11-29-12-10-25/h3-4,13-15H,5-12,16H2,1-2H3
InChIKeyFTYKQFRIBQFJJV-UHFFFAOYSA-N
XLogP1.74
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone 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-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 67508121) is 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1cnc(-c2ccnc(N3CCN(C(=O)CN4CCOCC4)CC3)c2)c(C)c1.
What is the InChIKey of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is FTYKQFRIBQFJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17-13-18(2)22(24-15-17)19-3-4-23-20(14-19)26-5-7-27(8-6-26)21(28)16-25-9-11-29-12-10-25/h3-4,13-15H,5-12,16H2,1-2H3.
What are the key properties of 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 395.51 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 67508121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).