3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C24H29N3O2 — CID 57456411

IUPAC3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CCCCCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c28-23(14-6-2-5-11-19-9-3-1-4-10-19)26-17-15-20(16-18-26)27-22-13-8-7-12-21(22)25-24(27)29/h1,3-4,7-10,12-13,20H,2,5-6,11,14-18H2,(H,25,29)
InChIKeyVIXSEPGMXMZCNJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.30
Rot. Bonds7

About 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 57456411) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID57456411
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(CCCCCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H29N3O2/c28-23(14-6-2-5-11-19-9-3-1-4-10-19)26-17-15-20(16-18-26)27-22-13-8-7-12-21(22)25-24(27)29/h1,3-4,7-10,12-13,20H,2,5-6,11,14-18H2,(H,25,29)
InChIKeyVIXSEPGMXMZCNJ-UHFFFAOYSA-N
XLogP4.30
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
(5R)-5-methyl-3-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 40798839
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
N-[3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]prop-2-enamide
CID 172967751
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55789017
5,5-dioxo-4-[5-oxo-5-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
CID 42926850
3-[1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70707174
3-[1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46524673
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 57456411) is 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(CCCCCc1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is VIXSEPGMXMZCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(14-6-2-5-11-19-9-3-1-4-10-19)26-17-15-20(16-18-26)27-22-13-8-7-12-21(22)25-24(27)29/h1,3-4,7-10,12-13,20H,2,5-6,11,14-18H2,(H,25,29).
What are the key properties of 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 57456411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).