3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one

C28H35N5O2 — CID 11590979

IUPAC3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one
SMILESCC(C)c1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1
InChIInChI=1S/C28H35N5O2/c1-20(2)27-30-25(19-35-27)21-8-10-24(11-9-21)33-13-5-7-23(28(33)34)18-22-6-4-12-29-26(22)32-16-14-31(3)15-17-32/h4,6,8-12,19-20,23H,5,7,13-18H2,1-3H3
InChIKeyIVSZMCQALDNKAA-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.60
Rot. Bonds6

About 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one

3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one (PubChem CID 11590979) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one
PubChem CID11590979
Molecular FormulaC28H35N5O2
Molecular Weight473.62 g/mol
Exact Mass473.28
IUPAC Name3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one
SMILESCC(C)c1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1
InChIInChI=1S/C28H35N5O2/c1-20(2)27-30-25(19-35-27)21-8-10-24(11-9-21)33-13-5-7-23(28(33)34)18-22-6-4-12-29-26(22)32-16-14-31(3)15-17-32/h4,6,8-12,19-20,23H,5,7,13-18H2,1-3H3
InChIKeyIVSZMCQALDNKAA-UHFFFAOYSA-N
XLogP4.60
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one 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 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The IUPAC name of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one (CID 11590979) is 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one.
What is the SMILES notation for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The canonical SMILES for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one is CC(C)c1nc(-c2ccc(N3CCCC(Cc4cccnc4N4CCN(C)CC4)C3=O)cc2)co1.
What is the InChIKey of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one?
The InChIKey is IVSZMCQALDNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-20(2)27-30-25(19-35-27)21-8-10-24(11-9-21)33-13-5-7-23(28(33)34)18-22-6-4-12-29-26(22)32-16-14-31(3)15-17-32/h4,6,8-12,19-20,23H,5,7,13-18H2,1-3H3.
What are the key properties of 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one?
3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one has a molecular weight of 473.62 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1-[4-(2-propan-2-yl-1,3-oxazol-4-yl)phenyl]piperidin-2-one is sourced from PubChem (CID 11590979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).