[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

C24H28FN5O — CID 45170167

IUPAC[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(N4CCN(c5ccccc5F)CC4)C3)cc2[nH]1
InChIInChI=1S/C24H28FN5O/c1-17-26-21-9-8-18(15-22(21)27-17)24(31)30-10-4-5-19(16-30)28-11-13-29(14-12-28)23-7-3-2-6-20(23)25/h2-3,6-9,15,19H,4-5,10-14,16H2,1H3,(H,26,27)
InChIKeySMPPEOGMNSWDER-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.44
Rot. Bonds3

About [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone

[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 45170167) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID45170167
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(N4CCN(c5ccccc5F)CC4)C3)cc2[nH]1
InChIInChI=1S/C24H28FN5O/c1-17-26-21-9-8-18(15-22(21)27-17)24(31)30-10-4-5-19(16-30)28-11-13-29(14-12-28)23-7-3-2-6-20(23)25/h2-3,6-9,15,19H,4-5,10-14,16H2,1H3,(H,26,27)
InChIKeySMPPEOGMNSWDER-UHFFFAOYSA-N
XLogP3.44
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 126891939
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015
(2-methyl-3H-benzimidazol-5-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709274
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
1-[4-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 45208229
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone (CID 45170167) is [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is Cc1nc2ccc(C(=O)N3CCCC(N4CCN(c5ccccc5F)CC4)C3)cc2[nH]1.
What is the InChIKey of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is SMPPEOGMNSWDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-17-26-21-9-8-18(15-22(21)27-17)24(31)30-10-4-5-19(16-30)28-11-13-29(14-12-28)23-7-3-2-6-20(23)25/h2-3,6-9,15,19H,4-5,10-14,16H2,1H3,(H,26,27).
What are the key properties of [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone?
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 421.52 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 45170167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).