1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one

C15H21N3O — CID 82500378

IUPAC1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-13-6-5-11(8-12-4-3-7-16-10-12)9-14(13)18(2)15(17)19/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyDCOWYAPHEYXKHR-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.42
Rot. Bonds2

About 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one

1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one (PubChem CID 82500378) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
PubChem CID82500378
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CC3CCCNC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-13-6-5-11(8-12-4-3-7-16-10-12)9-14(13)18(2)15(17)19/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3
InChIKeyDCOWYAPHEYXKHR-UHFFFAOYSA-N
XLogP1.42
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(piperidin-3-ylmethyl)-1,3-benzoxazol-2-one
CID 82498141
1-methyl-3-[3-(piperidin-3-ylmethyl)phenyl]imidazol-2-one
CID 117431524
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
4-methyl-6-(piperidin-3-ylmethyl)-3H-1,4-benzoxazin-2-one;hydrochloride
CID 68949647
1-methyl-7-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 117363448
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
4-methyl-7-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 117368648
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one (CID 82500378) is 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CC3CCCNC3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one?
The InChIKey is DCOWYAPHEYXKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-13-6-5-11(8-12-4-3-7-16-10-12)9-14(13)18(2)15(17)19/h5-6,9,12,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one?
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one is sourced from PubChem (CID 82500378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).