N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide

C16H19BrN2O3 — CID 52514973

IUPACN-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H19BrN2O3/c17-12-1-3-13(4-2-12)18-15(20)11-5-8-19(9-6-11)14-7-10-22-16(14)21/h1-4,11,14H,5-10H2,(H,18,20)/t14-/m1/s1
InChIKeyFJAHTLIVRXMZSB-CQSZACIVSA-N
MW367.24 g/mol
LogP2.42
Rot. Bonds3

About N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide

N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide (PubChem CID 52514973) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
PubChem CID52514973
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC NameN-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C16H19BrN2O3/c17-12-1-3-13(4-2-12)18-15(20)11-5-8-19(9-6-11)14-7-10-22-16(14)21/h1-4,11,14H,5-10H2,(H,18,20)/t14-/m1/s1
InChIKeyFJAHTLIVRXMZSB-CQSZACIVSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide
CID 95317737
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
1-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 51546507
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
N-[(4-methoxyphenyl)methyl]-1-(2-oxooxolan-3-yl)piperidine-4-carboxamide
CID 171913395
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(4-bromophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166626240
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
N-(4-acetamidophenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1316590
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide (CID 52514973) is N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCN([C@@H]2CCOC2=O)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is FJAHTLIVRXMZSB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c17-12-1-3-13(4-2-12)18-15(20)11-5-8-19(9-6-11)14-7-10-22-16(14)21/h1-4,11,14H,5-10H2,(H,18,20)/t14-/m1/s1.
What are the key properties of N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide?
N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-[(3R)-2-oxooxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 52514973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).