N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C28H32FN5O — CID 53005517

IUPACN-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C28H32FN5O/c29-24-8-6-22(7-9-24)26-18-27(31-20-30-26)34-16-10-23(11-17-34)28(35)32-25-12-14-33(15-13-25)19-21-4-2-1-3-5-21/h1-9,18,20,23,25H,10-17,19H2,(H,32,35)
InChIKeyNGBGKWNLTGTBJU-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.28
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53005517) has the molecular formula C28H32FN5O and a molecular weight of 473.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53005517
Molecular FormulaC28H32FN5O
Molecular Weight473.60 g/mol
Exact Mass473.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C28H32FN5O/c29-24-8-6-22(7-9-24)26-18-27(31-20-30-26)34-16-10-23(11-17-34)28(35)32-25-12-14-33(15-13-25)19-21-4-2-1-3-5-21/h1-9,18,20,23,25H,10-17,19H2,(H,32,35)
InChIKeyNGBGKWNLTGTBJU-UHFFFAOYSA-N
XLogP4.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53005517) is N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2cc(-c3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is NGBGKWNLTGTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O/c29-24-8-6-22(7-9-24)26-18-27(31-20-30-26)34-16-10-23(11-17-34)28(35)32-25-12-14-33(15-13-25)19-21-4-2-1-3-5-21/h1-9,18,20,23,25H,10-17,19H2,(H,32,35).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 473.60 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[6-(4-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53005517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).