N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide

C17H25BrN2O — CID 81287911

IUPACN-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Br)cc2CC)CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-3-8-17(9-5-10-19-12-17)16(21)20-15-7-6-14(18)11-13(15)4-2/h6-7,11,19H,3-5,8-10,12H2,1-2H3,(H,20,21)
InChIKeyJFIBQVZHSFCPFX-UHFFFAOYSA-N
MW353.30 g/mol
LogP4.12
Rot. Bonds5

About N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide

N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide (PubChem CID 81287911) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
PubChem CID81287911
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(Br)cc2CC)CCCNC1
InChIInChI=1S/C17H25BrN2O/c1-3-8-17(9-5-10-19-12-17)16(21)20-15-7-6-14(18)11-13(15)4-2/h6-7,11,19H,3-5,8-10,12H2,1-2H3,(H,20,21)
InChIKeyJFIBQVZHSFCPFX-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
CID 63130967
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide (CID 81287911) is N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(Br)cc2CC)CCCNC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is JFIBQVZHSFCPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-8-17(9-5-10-19-12-17)16(21)20-15-7-6-14(18)11-13(15)4-2/h6-7,11,19H,3-5,8-10,12H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide?
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 81287911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).