3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one

C15H21N3O2 — CID 117207067

IUPAC3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc32)CC1
InChIInChI=1S/C15H21N3O2/c1-3-17-8-6-11(7-9-17)18-14-5-4-12(20-2)10-13(14)16-15(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyLAKUIAMTXVGOKU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.00
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one

3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one (PubChem CID 117207067) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
PubChem CID117207067
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3cc(OC)ccc32)CC1
InChIInChI=1S/C15H21N3O2/c1-3-17-8-6-11(7-9-17)18-14-5-4-12(20-2)10-13(14)16-15(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,19)
InChIKeyLAKUIAMTXVGOKU-UHFFFAOYSA-N
XLogP2.00
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpiperidin-4-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261540
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-quinazoline-2,4-dione
CID 117261507
3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
6-chloro-3-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172967762
6-methoxy-3-[1-[1-(pyrimidine-5-carbonyl)piperidin-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 54019352
6-methoxy-3-(1-methylpiperidin-4-yl)-1H-quinazoline-2,4-dione
CID 117261267
N-(2,5-dimethoxyphenyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 23878679
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
CID 117208577
3-[1-[[3-(2,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142646179
(Z)-but-2-enedioic acid;6-chloro-3-[1-[[5-(4-methoxyphenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70524881

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one (CID 117207067) is 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one is CCN1CCC(n2c(=O)[nH]c3cc(OC)ccc32)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one?
The InChIKey is LAKUIAMTXVGOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-17-8-6-11(7-9-17)18-14-5-4-12(20-2)10-13(14)16-15(18)19/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,19).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one?
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117207067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).