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

C22H25N3O2 — CID 33121432

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(15-18)9-10-21(26)25-13-11-17(12-14-25)22-23-19-7-2-3-8-20(19)24-22/h2-8,15,17H,9-14H2,1H3,(H,23,24)
InChIKeyRNMPPJAYKKQBDO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.91
Rot. Bonds5

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

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 33121432) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID33121432
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(15-18)9-10-21(26)25-13-11-17(12-14-25)22-23-19-7-2-3-8-20(19)24-22/h2-8,15,17H,9-14H2,1H3,(H,23,24)
InChIKeyRNMPPJAYKKQBDO-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
3-(3-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 112533887
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethylphenoxy)butan-1-one
CID 108762297
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 56852001
4-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide
CID 1430350
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 33121432) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is RNMPPJAYKKQBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(15-18)9-10-21(26)25-13-11-17(12-14-25)22-23-19-7-2-3-8-20(19)24-22/h2-8,15,17H,9-14H2,1H3,(H,23,24).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 33121432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).