3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

C19H29N3O2 — CID 45253289

IUPAC3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCN(C)CC3)C2=O)c1
InChIInChI=1S/C19H29N3O2/c1-16-5-3-6-17(13-16)14-22-8-4-7-19(24,18(22)23)15-21-11-9-20(2)10-12-21/h3,5-6,13,24H,4,7-12,14-15H2,1-2H3
InChIKeyGAKGHKWCHIBSBG-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.10
Rot. Bonds4

About 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one

3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 45253289) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID45253289
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCc1cccc(CN2CCCC(O)(CN3CCN(C)CC3)C2=O)c1
InChIInChI=1S/C19H29N3O2/c1-16-5-3-6-17(13-16)14-22-8-4-7-19(24,18(22)23)15-21-11-9-20(2)10-12-21/h3,5-6,13,24H,4,7-12,14-15H2,1-2H3
InChIKeyGAKGHKWCHIBSBG-UHFFFAOYSA-N
XLogP1.10
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 25448686
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 45245843
(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 42193572
(3R)-3-hydroxy-3-[[(5-methylfuran-2-yl)methylamino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42122047
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidin-2-one
CID 45251257
2-[[3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]-N-methylethanesulfonamide
CID 56746440
3-hydroxy-3-[[methyl(1,2-oxazol-3-ylmethyl)amino]methyl]-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 45244658
(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]piperidin-2-one
CID 25377362
(3S)-3-[[(2,5-difluorophenyl)methylamino]methyl]-3-hydroxy-1-[(3-methylphenyl)methyl]piperidin-2-one
CID 42528175
(3R)-1-[(3,4-difluorophenyl)methyl]-3-hydroxy-3-(piperidin-1-ylmethyl)piperidin-2-one
CID 25294220
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylamino)methyl]piperidin-2-one
CID 45251604
3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-1-[(4-propan-2-ylphenyl)methyl]piperidin-2-one
CID 45240983

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one (CID 45253289) is 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is Cc1cccc(CN2CCCC(O)(CN3CCN(C)CC3)C2=O)c1.
What is the InChIKey of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is GAKGHKWCHIBSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16-5-3-6-17(13-16)14-22-8-4-7-19(24,18(22)23)15-21-11-9-20(2)10-12-21/h3,5-6,13,24H,4,7-12,14-15H2,1-2H3.
What are the key properties of 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one?
3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 331.46 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(3-methylphenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 45253289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).