N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide

C26H32FN3O4 — CID 46019736

IUPACN-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)20-5-4-6-22(15-20)34-3)18-11-13-30(14-12-18)26(33)19-7-9-21(27)10-8-19/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFNDGGCMMHBWPFK-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.26
Rot. Bonds8

About N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide

N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 46019736) has the molecular formula C26H32FN3O4 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID46019736
Molecular FormulaC26H32FN3O4
Molecular Weight469.56 g/mol
Exact Mass469.24
IUPAC NameN-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)20-5-4-6-22(15-20)34-3)18-11-13-30(14-12-18)26(33)19-7-9-21(27)10-8-19/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyFNDGGCMMHBWPFK-UHFFFAOYSA-N
XLogP3.26
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide (CID 46019736) is N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C(=O)NCC(C)C)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is FNDGGCMMHBWPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O4/c1-17(2)16-28-25(32)23(29-24(31)20-5-4-6-22(15-20)34-3)18-11-13-30(14-12-18)26(33)19-7-9-21(27)10-8-19/h4-10,15,17-18,23H,11-14,16H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide?
N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 469.56 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 46019736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).