1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

C18H23N5O2 — CID 121153996

IUPAC1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cn3cnc4ccccc43)C2)CC1
InChIInChI=1S/C18H23N5O2/c19-18(25)13-5-7-21(8-6-13)14-9-22(10-14)17(24)11-23-12-20-15-3-1-2-4-16(15)23/h1-4,12-14H,5-11H2,(H2,19,25)
InChIKeyRKYJWWBSDVDXQI-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.44
Rot. Bonds4

About 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide

1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153996) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153996
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)Cn3cnc4ccccc43)C2)CC1
InChIInChI=1S/C18H23N5O2/c19-18(25)13-5-7-21(8-6-13)14-9-22(10-14)17(24)11-23-12-20-15-3-1-2-4-16(15)23/h1-4,12-14H,5-11H2,(H2,19,25)
InChIKeyRKYJWWBSDVDXQI-UHFFFAOYSA-N
XLogP0.44
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
2-(benzimidazol-1-yl)-1-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]ethanone
CID 91779865
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
2-(benzimidazol-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164964
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
5-[1-[2-(benzimidazol-1-yl)acetyl]piperidin-4-yl]pyrazolidine-3-carboxamide
CID 164643695
2-(benzimidazol-1-yl)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617825
1-[1-[2-(1-methylindol-3-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153975
2-(benzimidazol-1-yl)-1-[3-(4-chloropyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 139008660
1-[3-(benzimidazol-1-yl)propanoyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 110107405
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2436915
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide (CID 121153996) is 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)Cn3cnc4ccccc43)C2)CC1.
What is the InChIKey of 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is RKYJWWBSDVDXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-18(25)13-5-7-21(8-6-13)14-9-22(10-14)17(24)11-23-12-20-15-3-1-2-4-16(15)23/h1-4,12-14H,5-11H2,(H2,19,25).
What are the key properties of 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide?
1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(benzimidazol-1-yl)acetyl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).