N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C26H27F2N5O3 — CID 70791065

IUPACN-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESNC1CCN(Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C26H27F2N5O3/c27-19-3-1-17(2-4-19)13-25(34)32-26(35)31-21-5-6-24(22(28)14-21)36-23-7-10-30-15-18(23)16-33-11-8-20(29)9-12-33/h1-7,10,14-15,20H,8-9,11-13,16,29H2,(H2,31,32,34,35)
InChIKeyFOQKKNOUWBZVJT-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.97
Rot. Bonds7

About N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 70791065) has the molecular formula C26H27F2N5O3 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID70791065
Molecular FormulaC26H27F2N5O3
Molecular Weight495.53 g/mol
Exact Mass495.21
IUPAC NameN-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESNC1CCN(Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1
InChIInChI=1S/C26H27F2N5O3/c27-19-3-1-17(2-4-19)13-25(34)32-26(35)31-21-5-6-24(22(28)14-21)36-23-7-10-30-15-18(23)16-33-11-8-20(29)9-12-33/h1-7,10,14-15,20H,8-9,11-13,16,29H2,(H2,31,32,34,35)
InChIKeyFOQKKNOUWBZVJT-UHFFFAOYSA-N
XLogP3.97
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 70791065) is N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is NC1CCN(Cc2cnccc2Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)CC1.
What is the InChIKey of N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FOQKKNOUWBZVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O3/c27-19-3-1-17(2-4-19)13-25(34)32-26(35)31-21-5-6-24(22(28)14-21)36-23-7-10-30-15-18(23)16-33-11-8-20(29)9-12-33/h1-7,10,14-15,20H,8-9,11-13,16,29H2,(H2,31,32,34,35).
What are the key properties of N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 495.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-[(4-aminopiperidin-1-yl)methyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 70791065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).