3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

C19H28N4O2 — CID 172967992

IUPAC3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(CC)(CN)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c1-3-19(4-2,13-20)17(24)22-11-9-14(10-12-22)23-16-8-6-5-7-15(16)21-18(23)25/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,25)
InChIKeyFTYQUAFMDJIHTE-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.26
Rot. Bonds5

About 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172967992) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172967992
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC(CC)(CN)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H28N4O2/c1-3-19(4-2,13-20)17(24)22-11-9-14(10-12-22)23-16-8-6-5-7-15(16)21-18(23)25/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,25)
InChIKeyFTYQUAFMDJIHTE-UHFFFAOYSA-N
XLogP2.26
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172967992) is 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCC(CC)(CN)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FTYQUAFMDJIHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-19(4-2,13-20)17(24)22-11-9-14(10-12-22)23-16-8-6-5-7-15(16)21-18(23)25/h5-8,14H,3-4,9-13,20H2,1-2H3,(H,21,25).
What are the key properties of 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172967992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).