propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

C22H27FN4O4 — CID 11711671

IUPACpropyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C22H27FN4O4/c1-3-12-31-22(29)27-10-8-15(9-11-27)25-19-7-5-16(21(24)26-19)20(28)17-13-14(23)4-6-18(17)30-2/h4-7,13,15H,3,8-12H2,1-2H3,(H3,24,25,26)
InChIKeyPGIPQBRSBQOLLD-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.47
Rot. Bonds7

About propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate

propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (PubChem CID 11711671) has the molecular formula C22H27FN4O4 and a molecular weight of 430.48 g/mol. Its IUPAC name is propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
PubChem CID11711671
Molecular FormulaC22H27FN4O4
Molecular Weight430.48 g/mol
Exact Mass430.20
IUPAC Namepropyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1
InChIInChI=1S/C22H27FN4O4/c1-3-12-31-22(29)27-10-8-15(9-11-27)25-19-7-5-16(21(24)26-19)20(28)17-13-14(23)4-6-18(17)30-2/h4-7,13,15H,3,8-12H2,1-2H3,(H3,24,25,26)
InChIKeyPGIPQBRSBQOLLD-UHFFFAOYSA-N
XLogP3.47
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate (CID 11711671) is propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is CCCOC(=O)N1CCC(Nc2ccc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1.
What is the InChIKey of propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
The InChIKey is PGIPQBRSBQOLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O4/c1-3-12-31-22(29)27-10-8-15(9-11-27)25-19-7-5-16(21(24)26-19)20(28)17-13-14(23)4-6-18(17)30-2/h4-7,13,15H,3,8-12H2,1-2H3,(H3,24,25,26).
What are the key properties of propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate?
propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate has a molecular weight of 430.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[6-amino-5-(5-fluoro-2-methoxybenzoyl)-2-pyridinyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 11711671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).