3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one

C18H24N4O3 — CID 56810285

IUPAC3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c23-17(21-9-11-25-12-10-21)13-20-7-5-14(6-8-20)22-16-4-2-1-3-15(16)19-18(22)24/h1-4,14H,5-13H2,(H,19,24)
InChIKeyCUMVERCMWAYLMI-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.83
Rot. Bonds3

About 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 56810285) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID56810285
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O3/c23-17(21-9-11-25-12-10-21)13-20-7-5-14(6-8-20)22-16-4-2-1-3-15(16)19-18(22)24/h1-4,14H,5-13H2,(H,19,24)
InChIKeyCUMVERCMWAYLMI-UHFFFAOYSA-N
XLogP0.83
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41097092
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
3-[1-[2-(oxolan-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968472
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 56810285) is 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)N1CCOCC1.
What is the InChIKey of 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is CUMVERCMWAYLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-17(21-9-11-25-12-10-21)13-20-7-5-14(6-8-20)22-16-4-2-1-3-15(16)19-18(22)24/h1-4,14H,5-13H2,(H,19,24).
What are the key properties of 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 56810285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).