N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide

C23H26BrN3O3 — CID 1119300

IUPACN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H26BrN3O3/c24-18-9-10-20(19(15-18)23(30)17-7-3-1-4-8-17)26-22(29)16-25-21(28)11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,25,28)(H,26,29)
InChIKeyRCSIUZXVUIUIIJ-UHFFFAOYSA-N
MW472.38 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide

N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide (PubChem CID 1119300) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide
PubChem CID1119300
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC NameN-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
InChIInChI=1S/C23H26BrN3O3/c24-18-9-10-20(19(15-18)23(30)17-7-3-1-4-8-17)26-22(29)16-25-21(28)11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,25,28)(H,26,29)
InChIKeyRCSIUZXVUIUIIJ-UHFFFAOYSA-N
XLogP3.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide (CID 1119300) is N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide?
The InChIKey is RCSIUZXVUIUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c24-18-9-10-20(19(15-18)23(30)17-7-3-1-4-8-17)26-22(29)16-25-21(28)11-14-27-12-5-2-6-13-27/h1,3-4,7-10,15H,2,5-6,11-14,16H2,(H,25,28)(H,26,29).
What are the key properties of N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide?
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide has a molecular weight of 472.38 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 1119300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).