[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C30H33FN4O3 — CID 58073269

IUPAC[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C30H33FN4O3/c1-38-27-9-4-23(5-10-27)29(36)24-12-14-34(15-13-24)28-11-6-25(20-32-28)30(37)35-18-16-33(17-19-35)21-22-2-7-26(31)8-3-22/h2-11,20,24H,12-19,21H2,1H3
InChIKeyCHWFYLUDMGYJQK-UHFFFAOYSA-N
MW516.62 g/mol
LogP4.29
Rot. Bonds7

About [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 58073269) has the molecular formula C30H33FN4O3 and a molecular weight of 516.62 g/mol. Its IUPAC name is [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID58073269
Molecular FormulaC30H33FN4O3
Molecular Weight516.62 g/mol
Exact Mass516.25
IUPAC Name[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C30H33FN4O3/c1-38-27-9-4-23(5-10-27)29(36)24-12-14-34(15-13-24)28-11-6-25(20-32-28)30(37)35-18-16-33(17-19-35)21-22-2-7-26(31)8-3-22/h2-11,20,24H,12-19,21H2,1H3
InChIKeyCHWFYLUDMGYJQK-UHFFFAOYSA-N
XLogP4.29
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.62
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 58073269) is [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(c3ccc(C(=O)N4CCN(Cc5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is CHWFYLUDMGYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN4O3/c1-38-27-9-4-23(5-10-27)29(36)24-12-14-34(15-13-24)28-11-6-25(20-32-28)30(37)35-18-16-33(17-19-35)21-22-2-7-26(31)8-3-22/h2-11,20,24H,12-19,21H2,1H3.
What are the key properties of [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 516.62 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridinyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 58073269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).