1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C23H25N5O3 — CID 54670017

IUPAC1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C23H25N5O3/c1-15(29)27-11-8-16(9-12-27)18-5-4-10-24-22(18)31-17-13-28(14-17)23(30)21-25-19-6-2-3-7-20(19)26-21/h2-7,10,16-17H,8-9,11-14H2,1H3,(H,25,26)
InChIKeyMFBPGZBLDYVVCV-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.59
Rot. Bonds4

About 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 54670017) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID54670017
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C23H25N5O3/c1-15(29)27-11-8-16(9-12-27)18-5-4-10-24-22(18)31-17-13-28(14-17)23(30)21-25-19-6-2-3-7-20(19)26-21/h2-7,10,16-17H,8-9,11-14H2,1H3,(H,25,26)
InChIKeyMFBPGZBLDYVVCV-UHFFFAOYSA-N
XLogP2.59
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 54670017) is 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is MFBPGZBLDYVVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(29)27-11-8-16(9-12-27)18-5-4-10-24-22(18)31-17-13-28(14-17)23(30)21-25-19-6-2-3-7-20(19)26-21/h2-7,10,16-17H,8-9,11-14H2,1H3,(H,25,26).
What are the key properties of 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 419.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 54670017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).