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

C17H24N4O2 — CID 119274801

IUPAC3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCC(N)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-2-5-13(18)16(22)20-10-8-12(9-11-20)21-15-7-4-3-6-14(15)19-17(21)23/h3-4,6-7,12-13H,2,5,8-11,18H2,1H3,(H,19,23)
InChIKeyQAKPJNXGICCPOV-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.62
Rot. Bonds4

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

3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 119274801) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID119274801
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCC(N)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C17H24N4O2/c1-2-5-13(18)16(22)20-10-8-12(9-11-20)21-15-7-4-3-6-14(15)19-17(21)23/h3-4,6-7,12-13H,2,5,8-11,18H2,1H3,(H,19,23)
InChIKeyQAKPJNXGICCPOV-UHFFFAOYSA-N
XLogP1.62
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992
3-[1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 40880204
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
3-[1-[2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanylpentanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 42739118
N-[4-methyl-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]benzamide
CID 44756255
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
2-[1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17411944
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-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 17468558

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 119274801) is 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCCC(N)C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QAKPJNXGICCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-5-13(18)16(22)20-10-8-12(9-11-20)21-15-7-4-3-6-14(15)19-17(21)23/h3-4,6-7,12-13H,2,5,8-11,18H2,1H3,(H,19,23).
What are the key properties of 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 119274801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).