4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

C21H26N4O2 — CID 171328941

IUPAC4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(Cc1noc2ccccc12)C1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23-10-7-16(13-21(23)26)14-25-11-8-17(9-12-25)24(2)15-19-18-5-3-4-6-20(18)27-22-19/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3
InChIKeyVAEGDHXVNCRFMU-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.62
Rot. Bonds5

About 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 171328941) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID171328941
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCN(Cc1noc2ccccc12)C1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-23-10-7-16(13-21(23)26)14-25-11-8-17(9-12-25)24(2)15-19-18-5-3-4-6-20(18)27-22-19/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3
InChIKeyVAEGDHXVNCRFMU-UHFFFAOYSA-N
XLogP2.62
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 171329070
N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 171328942
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
CID 47545020
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 171329094
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 171338016
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
3-[2-(4-benzylpiperazin-1-yl)ethyl]-1,2-benzoxazole
CID 18377472
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
CID 22989642

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 171328941) is 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is CN(Cc1noc2ccccc12)C1CCN(Cc2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is VAEGDHXVNCRFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-23-10-7-16(13-21(23)26)14-25-11-8-17(9-12-25)24(2)15-19-18-5-3-4-6-20(18)27-22-19/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 171328941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).