N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide

C31H32F4N4O3 — CID 66710492

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C31H32F4N4O3/c32-24-6-1-21(2-7-24)20-38-15-11-25(12-16-38)37-29(40)28-10-3-22(19-36-28)30(41)39-17-13-27(14-18-39)42-26-8-4-23(5-9-26)31(33,34)35/h1-10,19,25,27H,11-18,20H2,(H,37,40)
InChIKeyRVROKBCZVIZYLZ-UHFFFAOYSA-N
MW584.61 g/mol
LogP5.32
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 66710492) has the molecular formula C31H32F4N4O3 and a molecular weight of 584.61 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID66710492
Molecular FormulaC31H32F4N4O3
Molecular Weight584.61 g/mol
Exact Mass584.24
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1
InChIInChI=1S/C31H32F4N4O3/c32-24-6-1-21(2-7-24)20-38-15-11-25(12-16-38)37-29(40)28-10-3-22(19-36-28)30(41)39-17-13-27(14-18-39)42-26-8-4-23(5-9-26)31(33,34)35/h1-10,19,25,27H,11-18,20H2,(H,37,40)
InChIKeyRVROKBCZVIZYLZ-UHFFFAOYSA-N
XLogP5.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide (CID 66710492) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)cn1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is RVROKBCZVIZYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N4O3/c32-24-6-1-21(2-7-24)20-38-15-11-25(12-16-38)37-29(40)28-10-3-22(19-36-28)30(41)39-17-13-27(14-18-39)42-26-8-4-23(5-9-26)31(33,34)35/h1-10,19,25,27H,11-18,20H2,(H,37,40).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 584.61 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-[4-[4-(trifluoromethyl)phenoxy]piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 66710492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).