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N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide

C15H20BrN3O2 — CID 119297979

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCCN1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c16-11-4-6-12(7-5-11)19-14(20)8-10-18-15(21)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2,(H,18,21)(H,19,20)
InChIKeyXMJDFBODABJGOJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.04
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide (PubChem CID 119297979) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
PubChem CID119297979
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
SMILESO=C(CCNC(=O)C1CCCCN1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2/c16-11-4-6-12(7-5-11)19-14(20)8-10-18-15(21)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2,(H,18,21)(H,19,20)
InChIKeyXMJDFBODABJGOJ-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide (CID 119297979) is N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide is O=C(CCNC(=O)C1CCCCN1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide?
The InChIKey is XMJDFBODABJGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c16-11-4-6-12(7-5-11)19-14(20)8-10-18-15(21)13-3-1-2-9-17-13/h4-7,13,17H,1-3,8-10H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide?
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide has a molecular weight of 354.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide is sourced from PubChem (CID 119297979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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