1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C24H31FN4O — CID 42521529

IUPAC1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C2CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C24H31FN4O/c25-21-5-3-4-19(16-21)18-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)27-17-22-6-1-2-11-26-22/h1-6,11,16,20,23H,7-10,12-15,17-18H2,(H,27,30)
InChIKeyXTTQKCGWGRTRDA-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.21
Rot. Bonds6

About 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 42521529) has the molecular formula C24H31FN4O and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID42521529
Molecular FormulaC24H31FN4O
Molecular Weight410.54 g/mol
Exact Mass410.25
IUPAC Name1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccn1)C1CCN(C2CCN(Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C24H31FN4O/c25-21-5-3-4-19(16-21)18-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)27-17-22-6-1-2-11-26-22/h1-6,11,16,20,23H,7-10,12-15,17-18H2,(H,27,30)
InChIKeyXTTQKCGWGRTRDA-UHFFFAOYSA-N
XLogP3.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 42521529) is 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccccn1)C1CCN(C2CCN(Cc3cccc(F)c3)CC2)CC1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is XTTQKCGWGRTRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O/c25-21-5-3-4-19(16-21)18-28-12-9-23(10-13-28)29-14-7-20(8-15-29)24(30)27-17-22-6-1-2-11-26-22/h1-6,11,16,20,23H,7-10,12-15,17-18H2,(H,27,30).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42521529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).