1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one

C19H26N4O2 — CID 94443902

IUPAC1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
SMILESC[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1
InChIInChI=1S/C19H26N4O2/c1-15-12-22(13-16-4-6-20(2)18(24)10-16)8-9-23(15)14-17-5-7-21(3)19(25)11-17/h4-7,10-11,15H,8-9,12-14H2,1-3H3/t15-/m1/s1
InChIKeyMVZZSKFKSOFHBO-OAHLLOKOSA-N
MW342.44 g/mol
LogP0.79
Rot. Bonds4

About 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 94443902) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
PubChem CID94443902
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one
SMILESC[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1
InChIInChI=1S/C19H26N4O2/c1-15-12-22(13-16-4-6-20(2)18(24)10-16)8-9-23(15)14-17-5-7-21(3)19(25)11-17/h4-7,10-11,15H,8-9,12-14H2,1-3H3/t15-/m1/s1
InChIKeyMVZZSKFKSOFHBO-OAHLLOKOSA-N
XLogP0.79
TPSA50.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
CID 171994631
4-[(3-aminosulfanylazetidin-1-yl)methyl]-1-methylpyridin-2-one
CID 137403755
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
[4-[[4-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpiperazin-1-yl]methyl]phenyl]methanol
CID 75517917
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
CID 56813780
4-[(2-ethylpiperidin-1-yl)methyl]-1-methylpyridin-2-one
CID 53191773
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one (CID 94443902) is 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one is C[C@@H]1CN(Cc2ccn(C)c(=O)c2)CCN1Cc1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is MVZZSKFKSOFHBO-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-12-22(13-16-4-6-20(2)18(24)10-16)8-9-23(15)14-17-5-7-21(3)19(25)11-17/h4-7,10-11,15H,8-9,12-14H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(3R)-3-methyl-4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 94443902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).