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

C19H26N4O2 — CID 119274805

IUPAC3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCC1
InChIInChI=1S/C19H26N4O2/c20-19(10-4-1-5-11-19)17(24)22-12-8-14(9-13-22)23-16-7-3-2-6-15(16)21-18(23)25/h2-3,6-7,14H,1,4-5,8-13,20H2,(H,21,25)
InChIKeyTZVJGPWQGJDVNE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds2

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

3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 119274805) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID119274805
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCC1
InChIInChI=1S/C19H26N4O2/c20-19(10-4-1-5-11-19)17(24)22-12-8-14(9-13-22)23-16-7-3-2-6-15(16)21-18(23)25/h2-3,6-7,14H,1,4-5,8-13,20H2,(H,21,25)
InChIKeyTZVJGPWQGJDVNE-UHFFFAOYSA-N
XLogP2.15
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968045
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
3-[1-(adamantane-1-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245637
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cycloheptane-1-carbonitrile
CID 11439171
N-(2,2-dimethylcyclopentyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967834
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 119274805) is 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is NC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCCC1.
What is the InChIKey of 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is TZVJGPWQGJDVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-19(10-4-1-5-11-19)17(24)22-12-8-14(9-13-22)23-16-7-3-2-6-15(16)21-18(23)25/h2-3,6-7,14H,1,4-5,8-13,20H2,(H,21,25).
What are the key properties of 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 119274805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).