[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone

C17H23N5O — CID 142409937

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N5O/c23-17(22-11-7-18-8-12-22)21-9-5-13(6-10-21)16-19-14-3-1-2-4-15(14)20-16/h1-4,13,18H,5-12H2,(H,19,20)
InChIKeyLMTUCHLSSBGZHC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.77
Rot. Bonds1

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone (PubChem CID 142409937) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
PubChem CID142409937
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
SMILESO=C(N1CCNCC1)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N5O/c23-17(22-11-7-18-8-12-22)21-9-5-13(6-10-21)16-19-14-3-1-2-4-15(14)20-16/h1-4,13,18H,5-12H2,(H,19,20)
InChIKeyLMTUCHLSSBGZHC-UHFFFAOYSA-N
XLogP1.77
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-cyclopentylpropan-1-one
CID 33117135
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 43981443
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
CID 56814068

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone (CID 142409937) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone is O=C(N1CCNCC1)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone?
The InChIKey is LMTUCHLSSBGZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(22-11-7-18-8-12-22)21-9-5-13(6-10-21)16-19-14-3-1-2-4-15(14)20-16/h1-4,13,18H,5-12H2,(H,19,20).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone has a molecular weight of 313.40 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 142409937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).