N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide

C18H23BrN2O3 — CID 113007421

IUPACN-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23BrN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22)
InChIKeyIYYAIBIGALZRPC-UHFFFAOYSA-N
MW395.30 g/mol
LogP3.05
Rot. Bonds3

About N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide

N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide (PubChem CID 113007421) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
PubChem CID113007421
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC NameN-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23BrN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22)
InChIKeyIYYAIBIGALZRPC-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119763563
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
1-(oxane-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007795
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
CID 52514973
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-(oxane-4-carbonyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 113006797

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide (CID 113007421) is N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is IYYAIBIGALZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c19-15-1-3-16(4-2-15)20-17(22)13-5-9-21(10-6-13)18(23)14-7-11-24-12-8-14/h1-4,13-14H,5-12H2,(H,20,22).
What are the key properties of N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide?
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).