[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

C20H28N4O2 — CID 146045298

IUPAC[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(CCn1cnc2ccccc21)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H28N4O2/c1-22(12-13-24-15-21-17-5-2-3-6-18(17)24)16-8-10-23(11-9-16)20(25)19-7-4-14-26-19/h2-3,5-6,15-16,19H,4,7-14H2,1H3
InChIKeyQONXXWGHPFKFAP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.14
Rot. Bonds5

About [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone

[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 146045298) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID146045298
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCN(CCn1cnc2ccccc21)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H28N4O2/c1-22(12-13-24-15-21-17-5-2-3-6-18(17)24)16-8-10-23(11-9-16)20(25)19-7-4-14-26-19/h2-3,5-6,15-16,19H,4,7-14H2,1H3
InChIKeyQONXXWGHPFKFAP-UHFFFAOYSA-N
XLogP2.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300516
benzimidazol-1-yl(oxolan-2-yl)methanone
CID 4560119
N-[2-(benzimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-N-methylpiperidin-4-amine
CID 146046736
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 146045162
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
(2R)-N-(benzimidazol-1-yl)oxolane-2-carboxamide
CID 35427671
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 35045548
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
N-ethyl-N'-[(1-methylbenzimidazol-2-yl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301686
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627

Frequently Asked Questions

What is the IUPAC name of [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone (CID 146045298) is [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is CN(CCn1cnc2ccccc21)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QONXXWGHPFKFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-22(12-13-24-15-21-17-5-2-3-6-18(17)24)16-8-10-23(11-9-16)20(25)19-7-4-14-26-19/h2-3,5-6,15-16,19H,4,7-14H2,1H3.
What are the key properties of [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 146045298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).