1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide

C15H20BrN3O2 — CID 660887

IUPAC1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-1-3-13(4-2-12)18-14(20)7-10-19-8-5-11(6-9-19)15(17)21/h1-4,11H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyIKFTYZFLZWVADA-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.98
Rot. Bonds5

About 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 660887) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID660887
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H20BrN3O2/c16-12-1-3-13(4-2-12)18-14(20)7-10-19-8-5-11(6-9-19)15(17)21/h1-4,11H,5-10H2,(H2,17,21)(H,18,20)
InChIKeyIKFTYZFLZWVADA-UHFFFAOYSA-N
XLogP1.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Bromamid
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CID 4306285
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CID 49783216

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 660887) is 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is IKFTYZFLZWVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-12-1-3-13(4-2-12)18-14(20)7-10-19-8-5-11(6-9-19)15(17)21/h1-4,11H,5-10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 660887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).