[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C30H32FN5O — CID 50839482

IUPAC[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2nccc3c2ccn3Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C30H32FN5O/c31-26-8-4-5-9-28(26)33-18-20-35(21-19-33)30(37)24-11-15-34(16-12-24)29-25-13-17-36(27(25)10-14-32-29)22-23-6-2-1-3-7-23/h1-10,13-14,17,24H,11-12,15-16,18-22H2
InChIKeyVSXLWBDFHWKUIV-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.79
Rot. Bonds5

About [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 50839482) has the molecular formula C30H32FN5O and a molecular weight of 497.62 g/mol. Its IUPAC name is [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID50839482
Molecular FormulaC30H32FN5O
Molecular Weight497.62 g/mol
Exact Mass497.26
IUPAC Name[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(c2nccc3c2ccn3Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C30H32FN5O/c31-26-8-4-5-9-28(26)33-18-20-35(21-19-33)30(37)24-11-15-34(16-12-24)29-25-13-17-36(27(25)10-14-32-29)22-23-6-2-1-3-7-23/h1-10,13-14,17,24H,11-12,15-16,18-22H2
InChIKeyVSXLWBDFHWKUIV-UHFFFAOYSA-N
XLogP4.79
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50840215
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone;oxalic acid
CID 171151329
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[1-benzyl-6-(4-fluorophenyl)piperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42870479
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
N-benzyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
CID 53102372
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151326
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 53166825
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 50839482) is [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(C1CCN(c2nccc3c2ccn3Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VSXLWBDFHWKUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O/c31-26-8-4-5-9-28(26)33-18-20-35(21-19-33)30(37)24-11-15-34(16-12-24)29-25-13-17-36(27(25)10-14-32-29)22-23-6-2-1-3-7-23/h1-10,13-14,17,24H,11-12,15-16,18-22H2.
What are the key properties of [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 497.62 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50839482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).