N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

C20H23BrN2O3 — CID 46448493

IUPACN-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3/c1-2-17(14-7-9-16(21)10-8-14)22-19(24)15-5-3-11-23(13-15)20(25)18-6-4-12-26-18/h4,6-10,12,15,17H,2-3,5,11,13H2,1H3,(H,22,24)
InChIKeyLYMVQYSQBHWICK-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.16
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide

N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (PubChem CID 46448493) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
PubChem CID46448493
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O3/c1-2-17(14-7-9-16(21)10-8-14)22-19(24)15-5-3-11-23(13-15)20(25)18-6-4-12-26-18/h4,6-10,12,15,17H,2-3,5,11,13H2,1H3,(H,22,24)
InChIKeyLYMVQYSQBHWICK-UHFFFAOYSA-N
XLogP4.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621933
(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621939
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 32614549
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
(3R)-N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 34742118
1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
CID 43043393
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide (CID 46448493) is N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is CCC(NC(=O)C1CCCN(C(=O)c2ccco2)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is LYMVQYSQBHWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-2-17(14-7-9-16(21)10-8-14)22-19(24)15-5-3-11-23(13-15)20(25)18-6-4-12-26-18/h4,6-10,12,15,17H,2-3,5,11,13H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide?
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 419.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).