1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one

C16H21N3O — CID 117431524

IUPAC1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(CC3CCCNC3)c2)c1=O
InChIInChI=1S/C16H21N3O/c1-18-8-9-19(16(18)20)15-6-2-4-13(11-15)10-14-5-3-7-17-12-14/h2,4,6,8-9,11,14,17H,3,5,7,10,12H2,1H3
InChIKeyNHGAQBODXJHZIE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.72
Rot. Bonds3

About 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one

1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one (PubChem CID 117431524) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
PubChem CID117431524
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
SMILESCn1ccn(-c2cccc(CC3CCCNC3)c2)c1=O
InChIInChI=1S/C16H21N3O/c1-18-8-9-19(16(18)20)15-6-2-4-13(11-15)10-14-5-3-7-17-12-14/h2,4,6,8-9,11,14,17H,3,5,7,10,12H2,1H3
InChIKeyNHGAQBODXJHZIE-UHFFFAOYSA-N
XLogP1.72
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(piperidin-3-ylmethyl)phenyl]piperazine-2,5-dione
CID 117463832
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
1-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]imidazol-2-one
CID 117433968
3-(piperidin-3-ylmethyl)phenol
CID 57155980
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one (CID 117431524) is 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one is Cn1ccn(-c2cccc(CC3CCCNC3)c2)c1=O.
What is the InChIKey of 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one?
The InChIKey is NHGAQBODXJHZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-8-9-19(16(18)20)15-6-2-4-13(11-15)10-14-5-3-7-17-12-14/h2,4,6,8-9,11,14,17H,3,5,7,10,12H2,1H3.
What are the key properties of 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one?
1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one is sourced from PubChem (CID 117431524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).