N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide

C30H38FN5O3 — CID 56652371

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H38FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h6-11,20,23,26H,1-5,12-19,21H2,(H,33,37)
InChIKeyKUYAVZMMGBODBA-UHFFFAOYSA-N
MW535.66 g/mol
LogP3.48
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 56652371) has the molecular formula C30H38FN5O3 and a molecular weight of 535.66 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
PubChem CID56652371
Molecular FormulaC30H38FN5O3
Molecular Weight535.66 g/mol
Exact Mass535.30
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C30H38FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h6-11,20,23,26H,1-5,12-19,21H2,(H,33,37)
InChIKeyKUYAVZMMGBODBA-UHFFFAOYSA-N
XLogP3.48
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.66
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide (CID 56652371) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is KUYAVZMMGBODBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN5O3/c31-25-9-6-22(7-10-25)21-34-16-18-36(19-17-34)30(39)24-8-11-27(32-20-24)28(37)33-26-12-14-35(15-13-26)29(38)23-4-2-1-3-5-23/h6-11,20,23,26H,1-5,12-19,21H2,(H,33,37).
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 535.66 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 56652371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).