1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C23H27BrN2O4 — CID 55974223

IUPAC1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1
InChIInChI=1S/C23H27BrN2O4/c1-29-15-5-12-25-22(27)17-10-13-26(14-11-17)23(28)20-8-2-3-9-21(20)30-19-7-4-6-18(24)16-19/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,27)
InChIKeyQKWPGKDUXJMNBG-UHFFFAOYSA-N
MW475.38 g/mol
LogP4.25
Rot. Bonds8

About 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 55974223) has the molecular formula C23H27BrN2O4 and a molecular weight of 475.38 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID55974223
Molecular FormulaC23H27BrN2O4
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Name1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1
InChIInChI=1S/C23H27BrN2O4/c1-29-15-5-12-25-22(27)17-10-13-26(14-11-17)23(28)20-8-2-3-9-21(20)30-19-7-4-6-18(24)16-19/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,27)
InChIKeyQKWPGKDUXJMNBG-UHFFFAOYSA-N
XLogP4.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
[2-(3-bromophenoxy)phenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613114
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide
CID 78898290
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974724
1-(4-amino-5-chloro-2-methoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 119745251
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-[3-(2-methoxyphenyl)propanoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 55974223) is 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(C(=O)c2ccccc2Oc2cccc(Br)c2)CC1.
What is the InChIKey of 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is QKWPGKDUXJMNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O4/c1-29-15-5-12-25-22(27)17-10-13-26(14-11-17)23(28)20-8-2-3-9-21(20)30-19-7-4-6-18(24)16-19/h2-4,6-9,16-17H,5,10-15H2,1H3,(H,25,27).
What are the key properties of 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55974223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).