2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide

C23H28F2N4O — CID 50783443

IUPAC2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cccnc1N1CCC(CN2CCCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C23H28F2N4O/c24-18-6-7-19(20(25)15-18)23(30)27-21-5-4-10-26-22(21)29-13-8-17(9-14-29)16-28-11-2-1-3-12-28/h4-7,10,15,17H,1-3,8-9,11-14,16H2,(H,27,30)
InChIKeyANNZOWJWAXVIFU-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.31
Rot. Bonds5

About 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide

2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide (PubChem CID 50783443) has the molecular formula C23H28F2N4O and a molecular weight of 414.50 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
PubChem CID50783443
Molecular FormulaC23H28F2N4O
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1cccnc1N1CCC(CN2CCCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C23H28F2N4O/c24-18-6-7-19(20(25)15-18)23(30)27-21-5-4-10-26-22(21)29-13-8-17(9-14-29)16-28-11-2-1-3-12-28/h4-7,10,15,17H,1-3,8-9,11-14,16H2,(H,27,30)
InChIKeyANNZOWJWAXVIFU-UHFFFAOYSA-N
XLogP4.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide (CID 50783443) is 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1cccnc1N1CCC(CN2CCCCC2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is ANNZOWJWAXVIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N4O/c24-18-6-7-19(20(25)15-18)23(30)27-21-5-4-10-26-22(21)29-13-8-17(9-14-29)16-28-11-2-1-3-12-28/h4-7,10,15,17H,1-3,8-9,11-14,16H2,(H,27,30).
What are the key properties of 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide?
2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 414.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 50783443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).