6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C30H33F2N5O2 — CID 66710463

IUPAC6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C30H33F2N5O2/c31-25-6-1-22(2-7-25)20-35-13-11-27(12-14-35)34-29(38)24-5-10-28(33-19-24)30(39)37-17-15-36(16-18-37)21-23-3-8-26(32)9-4-23/h1-10,19,27H,11-18,20-21H2,(H,34,38)
InChIKeyJKAJRLZIQKBLFQ-UHFFFAOYSA-N
MW533.62 g/mol
LogP3.71
Rot. Bonds7

About 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 66710463) has the molecular formula C30H33F2N5O2 and a molecular weight of 533.62 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID66710463
Molecular FormulaC30H33F2N5O2
Molecular Weight533.62 g/mol
Exact Mass533.26
IUPAC Name6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1
InChIInChI=1S/C30H33F2N5O2/c31-25-6-1-22(2-7-25)20-35-13-11-27(12-14-35)34-29(38)24-5-10-28(33-19-24)30(39)37-17-15-36(16-18-37)21-23-3-8-26(32)9-4-23/h1-10,19,27H,11-18,20-21H2,(H,34,38)
InChIKeyJKAJRLZIQKBLFQ-UHFFFAOYSA-N
XLogP3.71
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.62
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 66710463) is 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JKAJRLZIQKBLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2N5O2/c31-25-6-1-22(2-7-25)20-35-13-11-27(12-14-35)34-29(38)24-5-10-28(33-19-24)30(39)37-17-15-36(16-18-37)21-23-3-8-26(32)9-4-23/h1-10,19,27H,11-18,20-21H2,(H,34,38).
What are the key properties of 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 533.62 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66710463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).